 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer04_STD_M11_augccpVDZ.in
 Output=11_L-cysteine_conformer04_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-18956.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18961.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer04_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:55:59 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer04_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.758678000000     -0.589468000000     -0.423124000000
  S                                                -2.509414000000     -0.170412000000     -0.127352000000
  C                                                 0.230755000000      0.153880000000      0.481215000000
  N                                                 0.111160000000      1.599705000000      0.307949000000
  C                                                 1.641223000000     -0.310717000000      0.078875000000
  O                                                 2.078876000000     -1.387971000000      0.375233000000
  O                                                 2.308644000000      0.576119000000     -0.667920000000
  H                                                 0.075206000000     -0.177318000000      1.512130000000
  H                                                -0.583618000000     -0.319599000000     -1.466171000000
  H                                                -0.606490000000     -1.660802000000     -0.322380000000
  H                                                 1.722486000000      1.364748000000     -0.723967000000
  H                                                -0.858059000000      1.853431000000      0.144847000000
  H                                                 0.421765000000      2.097683000000      1.133359000000
  H                                                -2.578746000000     -0.656838000000      1.123866000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:56:00 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.758678   -0.589468   -0.423124
      2         16           0       -2.509414   -0.170412   -0.127352
      3          6           0        0.230755    0.153880    0.481215
      4          7           0        0.111160    1.599705    0.307949
      5          6           0        1.641223   -0.310717    0.078875
      6          8           0        2.078876   -1.387971    0.375233
      7          8           0        2.308644    0.576119   -0.667920
      8          1           0        0.075206   -0.177318    1.512130
      9          1           0       -0.583618   -0.319599   -1.466171
     10          1           0       -0.606490   -1.660802   -0.322380
     11          1           0        1.722486    1.364748   -0.723967
     12          1           0       -0.858059    1.853431    0.144847
     13          1           0        0.421765    2.097683    1.133359
     14          1           0       -2.578746   -0.656838    1.123866
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.824326   0.000000
     3  C    1.532766   2.825605   0.000000
     4  N    2.466488   3.192211   1.461073   0.000000
     5  C    2.467637   4.158125   1.538554   2.458308   0.000000
     6  O    3.053964   4.773620   2.409167   3.578078   1.199935
     7  O    3.290438   4.905426   2.411725   2.613233   1.337771
     8  H    2.147193   3.060753   1.093926   2.146894   2.127069
     9  H    1.091523   2.350188   2.163261   2.704431   2.708720
    10  H    1.086769   2.424957   2.154023   3.397535   2.652536
    11  H    3.172640   4.541106   2.268023   1.927804   1.859662
    12  H    2.510025   2.626215   2.046249   1.015069   3.306705
    13  H    3.322178   3.914774   2.059162   1.012798   2.898173
    14  H    2.389637   1.344233   2.993920   3.604622   4.361186
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.235757   0.000000
     8  H    2.602481   3.210690   0.000000
     9  H    3.408968   3.131245   3.053616   0.000000
    10  H    2.787883   3.690694   2.455781   1.762840   0.000000
    11  H    2.985417   0.984204   3.176732   2.950594   3.839187
    12  H    4.380109   3.510003   2.619998   2.718962   3.554071
    13  H    3.933263   3.019946   2.332209   3.689391   4.159651
    14  H    4.773725   5.349510   2.724729   3.286724   2.643741
                   11         12         13         14
    11  H    0.000000
    12  H    2.766381   0.000000
    13  H    2.383008   1.635471   0.000000
    14  H    5.099205   3.196982   4.073149   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.758678   -0.589468   -0.423124
      2         16           0       -2.509414   -0.170412   -0.127352
      3          6           0        0.230755    0.153880    0.481215
      4          7           0        0.111160    1.599705    0.307949
      5          6           0        1.641223   -0.310717    0.078875
      6          8           0        2.078876   -1.387971    0.375233
      7          8           0        2.308644    0.576119   -0.667920
      8          1           0        0.075206   -0.177318    1.512130
      9          1           0       -0.583618   -0.319599   -1.466171
     10          1           0       -0.606490   -1.660802   -0.322380
     11          1           0        1.722486    1.364748   -0.723967
     12          1           0       -0.858059    1.853431    0.144847
     13          1           0        0.421765    2.097683    1.133359
     14          1           0       -2.578746   -0.656838    1.123866
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.3792587           1.1726503           1.0134658
 Leave Link  202 at Thu Aug 12 20:56:00 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       376.0605128178 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:56:03 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.44D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:56:03 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:56:04 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer04_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:56:04 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.810453099314    
 DIIS: error= 6.02D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.810453099314     IErMin= 1 ErrMin= 6.02D-03
 ErrMax= 6.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-02 BMatP= 1.39D-02
 IDIUse=3 WtCom= 9.40D-01 WtEn= 6.02D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.432 Goal=   None    Shift=    0.000
 GapD=    0.432 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.64D-03 MaxDP=3.25D-01              OVMax= 1.78D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.64D-03    CP:  9.90D-01
 E= -721.822087071393     Delta-E=       -0.011633972079 Rises=F Damp=F
 DIIS: error= 9.71D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.822087071393     IErMin= 2 ErrMin= 9.71D-04
 ErrMax= 9.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.19D-04 BMatP= 1.39D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.71D-03
 Coeff-Com:  0.615D-02 0.994D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.609D-02 0.994D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.72D-03 MaxDP=1.49D-01 DE=-1.16D-02 OVMax= 7.62D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.02D-03    CP:  9.97D-01  1.14D+00
 E= -721.822455320749     Delta-E=       -0.000368249357 Rises=F Damp=F
 DIIS: error= 8.95D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.822455320749     IErMin= 3 ErrMin= 8.95D-04
 ErrMax= 8.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.58D-04 BMatP= 6.19D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.95D-03
 Coeff-Com: -0.442D-01 0.502D+00 0.542D+00
 Coeff-En:   0.000D+00 0.181D+00 0.819D+00
 Coeff:     -0.438D-01 0.499D+00 0.545D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=2.59D-04 MaxDP=1.48D-02 DE=-3.68D-04 OVMax= 4.28D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.65D-04    CP:  9.97D-01  1.16D+00  1.08D+00
 E= -721.822824064063     Delta-E=       -0.000368743314 Rises=F Damp=F
 DIIS: error= 1.33D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.822824064063     IErMin= 4 ErrMin= 1.33D-04
 ErrMax= 1.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-05 BMatP= 5.58D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.33D-03
 Coeff-Com: -0.984D-02 0.254D-01 0.116D+00 0.868D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.983D-02 0.253D-01 0.116D+00 0.869D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=3.03D-03 DE=-3.69D-04 OVMax= 1.15D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.70D-05    CP:  9.96D-01  1.16D+00  1.11D+00  1.12D+00
 E= -721.822839169698     Delta-E=       -0.000015105635 Rises=F Damp=F
 DIIS: error= 6.27D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.822839169698     IErMin= 5 ErrMin= 6.27D-05
 ErrMax= 6.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.25D-06 BMatP= 1.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.177D-02-0.557D-01-0.281D-01 0.389D+00 0.693D+00
 Coeff:      0.177D-02-0.557D-01-0.281D-01 0.389D+00 0.693D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=3.71D-05 MaxDP=1.33D-03 DE=-1.51D-05 OVMax= 6.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.48D-05    CP:  9.96D-01  1.17D+00  1.11D+00  1.20D+00  1.26D+00
 E= -721.822843036172     Delta-E=       -0.000003866474 Rises=F Damp=F
 DIIS: error= 2.24D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.822843036172     IErMin= 6 ErrMin= 2.24D-05
 ErrMax= 2.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.01D-07 BMatP= 4.25D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-02-0.275D-01-0.273D-01 0.747D-01 0.308D+00 0.670D+00
 Coeff:      0.196D-02-0.275D-01-0.273D-01 0.747D-01 0.308D+00 0.670D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.37D-05 MaxDP=1.21D-03 DE=-3.87D-06 OVMax= 1.83D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.73D-06    CP:  9.96D-01  1.17D+00  1.11D+00  1.21D+00  1.36D+00
                    CP:  1.24D+00
 E= -721.822843507062     Delta-E=       -0.000000470890 Rises=F Damp=F
 DIIS: error= 5.32D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.822843507062     IErMin= 7 ErrMin= 5.32D-06
 ErrMax= 5.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-08 BMatP= 5.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-03 0.153D-02-0.209D-02-0.363D-01-0.272D-01 0.141D+00
 Coeff-Com:  0.923D+00
 Coeff:      0.191D-03 0.153D-02-0.209D-02-0.363D-01-0.272D-01 0.141D+00
 Coeff:      0.923D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=9.17D-06 MaxDP=9.74D-04 DE=-4.71D-07 OVMax= 7.99D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.80D-06    CP:  9.96D-01  1.16D+00  1.10D+00  1.21D+00  1.40D+00
                    CP:  1.35D+00  1.21D+00
 E= -721.822843553894     Delta-E=       -0.000000046832 Rises=F Damp=F
 DIIS: error= 1.88D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.822843553894     IErMin= 8 ErrMin= 1.88D-06
 ErrMax= 1.88D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-09 BMatP= 2.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-03 0.268D-02 0.182D-02-0.163D-01-0.325D-01-0.208D-01
 Coeff-Com:  0.248D+00 0.818D+00
 Coeff:     -0.111D-03 0.268D-02 0.182D-02-0.163D-01-0.325D-01-0.208D-01
 Coeff:      0.248D+00 0.818D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.85D-06 MaxDP=1.36D-04 DE=-4.68D-08 OVMax= 2.40D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.21D-07    CP:  9.96D-01  1.16D+00  1.10D+00  1.21D+00  1.41D+00
                    CP:  1.38D+00  1.29D+00  1.27D+00
 E= -721.822843558210     Delta-E=       -0.000000004316 Rises=F Damp=F
 DIIS: error= 5.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.822843558210     IErMin= 9 ErrMin= 5.60D-07
 ErrMax= 5.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-10 BMatP= 2.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.442D-04 0.546D-03 0.743D-03-0.119D-02-0.593D-02-0.214D-01
 Coeff-Com: -0.262D-01 0.230D+00 0.824D+00
 Coeff:     -0.442D-04 0.546D-03 0.743D-03-0.119D-02-0.593D-02-0.214D-01
 Coeff:     -0.262D-01 0.230D+00 0.824D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=5.09D-07 MaxDP=2.45D-05 DE=-4.32D-09 OVMax= 9.74D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.33D-07    CP:  9.96D-01  1.16D+00  1.10D+00  1.21D+00  1.41D+00
                    CP:  1.38D+00  1.32D+00  1.39D+00  1.11D+00
 E= -721.822843558749     Delta-E=       -0.000000000539 Rises=F Damp=F
 DIIS: error= 1.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.822843558749     IErMin=10 ErrMin= 1.58D-07
 ErrMax= 1.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-11 BMatP= 3.23D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.752D-08-0.164D-03 0.221D-04 0.170D-02 0.250D-02-0.375D-02
 Coeff-Com: -0.360D-01-0.368D-01 0.222D+00 0.850D+00
 Coeff:     -0.752D-08-0.164D-03 0.221D-04 0.170D-02 0.250D-02-0.375D-02
 Coeff:     -0.360D-01-0.368D-01 0.222D+00 0.850D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.83D-07 MaxDP=7.05D-06 DE=-5.39D-10 OVMax= 3.49D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.90D-08    CP:  9.96D-01  1.16D+00  1.10D+00  1.21D+00  1.41D+00
                    CP:  1.38D+00  1.32D+00  1.43D+00  1.20D+00  1.28D+00
 E= -721.822843558793     Delta-E=       -0.000000000044 Rises=F Damp=F
 DIIS: error= 5.90D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.822843558793     IErMin=11 ErrMin= 5.90D-08
 ErrMax= 5.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-12 BMatP= 3.81D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.518D-05-0.935D-04-0.818D-04 0.458D-03 0.116D-02 0.150D-02
 Coeff-Com: -0.371D-02-0.337D-01-0.474D-01 0.167D+00 0.915D+00
 Coeff:      0.518D-05-0.935D-04-0.818D-04 0.458D-03 0.116D-02 0.150D-02
 Coeff:     -0.371D-02-0.337D-01-0.474D-01 0.167D+00 0.915D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=7.82D-08 MaxDP=6.48D-06 DE=-4.41D-11 OVMax= 1.46D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.57D-08    CP:  9.96D-01  1.16D+00  1.10D+00  1.21D+00  1.41D+00
                    CP:  1.38D+00  1.32D+00  1.43D+00  1.23D+00  1.41D+00
                    CP:  1.16D+00
 E= -721.822843558818     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 1.66D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -721.822843558818     IErMin=12 ErrMin= 1.66D-08
 ErrMax= 1.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-13 BMatP= 2.99D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.966D-06-0.292D-05-0.177D-04-0.703D-04-0.919D-05 0.544D-03
 Coeff-Com:  0.249D-02-0.240D-02-0.269D-01-0.460D-01 0.159D+00 0.913D+00
 Coeff:      0.966D-06-0.292D-05-0.177D-04-0.703D-04-0.919D-05 0.544D-03
 Coeff:      0.249D-02-0.240D-02-0.269D-01-0.460D-01 0.159D+00 0.913D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.74D-08 MaxDP=7.26D-07 DE=-2.52D-11 OVMax= 4.88D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.10D-09    CP:  9.96D-01  1.16D+00  1.10D+00  1.21D+00  1.41D+00
                    CP:  1.38D+00  1.32D+00  1.43D+00  1.23D+00  1.43D+00
                    CP:  1.22D+00  1.25D+00
 E= -721.822843558776     Delta-E=        0.000000000042 Rises=F Damp=F
 DIIS: error= 6.33D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -721.822843558818     IErMin=13 ErrMin= 6.33D-09
 ErrMax= 6.33D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-14 BMatP= 2.76D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.388D-06 0.111D-04 0.559D-05-0.760D-04-0.144D-03-0.468D-04
 Coeff-Com:  0.115D-02 0.360D-02-0.170D-02-0.345D-01-0.696D-01 0.248D+00
 Coeff-Com:  0.853D+00
 Coeff:     -0.388D-06 0.111D-04 0.559D-05-0.760D-04-0.144D-03-0.468D-04
 Coeff:      0.115D-02 0.360D-02-0.170D-02-0.345D-01-0.696D-01 0.248D+00
 Coeff:      0.853D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=7.14D-09 MaxDP=3.72D-07 DE= 4.21D-11 OVMax= 2.13D-07

 SCF Done:  E(RM11) =  -721.822843559     A.U. after   13 cycles
            NFock= 13  Conv=0.71D-08     -V/T= 2.0047
 KE= 7.184133010713D+02 PE=-2.454975779753D+03 EE= 6.386791223053D+02
 Leave Link  502 at Thu Aug 12 20:58:17 2021, MaxMem=  5368709120 cpu:            1052.6 elap:             131.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.50928387D+02

 Leave Link  801 at Thu Aug 12 20:58:17 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4313 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.01D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.62D-01 7.62D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 2.62D-02 2.97D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 2.31D-03 9.52D-03.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.11D-04 1.61D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 4.33D-06 2.45D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 1.36D-07 3.87D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 3.39D-09 5.94D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 7.39D-11 1.12D-06.
     11 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 1.36D-12 1.58D-07.
      3 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 2.08D-14 1.80D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.917645D+02
      2 -0.906497D+00  0.757406D+02
      3 -0.251514D+01 -0.233462D+01  0.646253D+02
 Isotropic polarizability for W=    0.088559       77.38 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.100990D+03 -0.172281D+02 -0.148262D+02
      2   0.578333D+02  0.130806D+02  0.399069D+01
      3   0.431565D+02  0.414744D+01  0.108355D+02
      4  -0.222668D+02 -0.155330D+02 -0.173179D+02
      5  -0.523264D+01 -0.184848D+02 -0.492302D+02
      6  -0.415379D+01  0.121476D+02  0.993637D+00
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.371077D+01  0.141544D+01 -0.980341D+00
      2   0.656066D+00 -0.821267D+01 -0.309902D+02
      3   0.769913D+01  0.170860D+02  0.666871D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.116690D+01  0.815689D+01  0.315381D+01
      2  -0.959357D+01 -0.131641D+02 -0.923867D+02
      3  -0.503872D+01  0.733663D+02  0.143310D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.106370D+01 -0.697461D+00 -0.191531D+01
      2  -0.697461D+00  0.189871D+01  0.109850D+01
      3  -0.191531D+01  0.109850D+01  0.133180D+01
 OR G Eigenvalues:    -2.1266     0.8249     3.4685  Iso=    -0.7223
 Eigenvectors:
   (1)   0.877452   0.021265   0.479192
   (2)   0.291360   0.769967  -0.567680
   (3)  -0.381034   0.637729   0.669414
 w=    0.088559 a.u., Optical Rotation Beta=     -0.7223 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =     -302.30 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 9.47D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.06D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.93D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.84D-02 2.96D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 6.53D-04 3.57D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 9.11D-06 3.93D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 1.34D-07 5.35D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 1.57D-09 4.50D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 1.53D-11 3.94D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 1.05D-13 3.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 3.76D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 3.76D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.65D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.917645D+02 -0.906497D+00 -0.251514D+01
      2  -0.906497D+00  0.757406D+02 -0.233462D+01
      3  -0.251514D+01 -0.233462D+01  0.646253D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.371077D+01  0.141544D+01 -0.980341D+00
      2   0.656066D+00 -0.821267D+01 -0.309902D+02
      3   0.769913D+01  0.170860D+02  0.666871D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.100990D+03 -0.172281D+02 -0.148262D+02
      2   0.578333D+02  0.130806D+02  0.399069D+01
      3   0.431565D+02  0.414744D+01  0.108355D+02
      4  -0.222668D+02 -0.155330D+02 -0.173179D+02
      5  -0.523264D+01 -0.184848D+02 -0.492302D+02
      6  -0.415379D+01  0.121476D+02  0.993637D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108999D+02 -0.238513D+01 -0.155679D+01 -0.508006D+01 -0.233562D+01
      2  -0.238513D+01  0.105569D+00  0.234675D+00 -0.233562D+01  0.435246D+01
      3  -0.155679D+01  0.234675D+00 -0.552305D+00 -0.529064D+00 -0.274296D-01
                 6             7             8             9            10 
      1  -0.529064D+00 -0.451680D+01 -0.280990D+00 -0.169909D+01 -0.178728D+02
      2  -0.274296D-01 -0.280990D+00 -0.126655D+01 -0.117483D+01  0.210909D+01
      3  -0.170780D+01 -0.169909D+01 -0.117483D+01  0.497398D+01 -0.323509D+00
                11            12            13            14            15 
      1   0.210909D+01 -0.323509D+00  0.434536D+01 -0.328194D+01 -0.819764D-01
      2  -0.268736D+01 -0.508484D+00 -0.328194D+01  0.242232D+00 -0.967910D+00
      3  -0.508484D+00 -0.103808D+01 -0.819764D-01 -0.967910D+00  0.297456D+01
                16            17            18            19            20 
      1  -0.968353D+00 -0.295999D+00 -0.227963D+01 -0.212881D+01  0.165507D+01
      2  -0.295999D+00 -0.161151D+01  0.271689D+01  0.165507D+01  0.635273D+00
      3  -0.227963D+01  0.271689D+01 -0.729919D+01  0.140434D+01 -0.215401D+00
                21            22            23            24            25 
      1   0.140434D+01  0.530634D+01  0.542699D+00  0.366267D+00  0.512343D+01
      2  -0.215401D+00  0.542699D+00 -0.174209D+01 -0.534178D+00 -0.825285D-01
      3   0.909826D+00  0.366267D+00 -0.534178D+00  0.244314D+01  0.154491D+01
                26            27            28            29            30 
      1  -0.825285D-01  0.154491D+01  0.512267D+01  0.382472D+00 -0.338784D+00
      2  -0.123229D+00  0.303648D+01  0.382472D+00  0.876438D+00  0.125704D+00
      3   0.303648D+01 -0.515189D+01 -0.338784D+00  0.125704D+00 -0.147345D+01
                31            32            33            34            35 
      1  -0.132779D+01  0.228707D+00 -0.678297D+00 -0.519092D+00 -0.727953D+00
      2   0.228707D+00  0.326888D+01 -0.134107D+01 -0.727953D+00 -0.288592D+01
      3  -0.678297D+00 -0.134107D+01 -0.183896D+01 -0.158209D+01 -0.200543D+01
                36            37            38            39            40 
      1  -0.158209D+01  0.299276D+01 -0.972980D-01 -0.102609D+01  0.878609D+00
      2  -0.200543D+01 -0.972980D-01 -0.112514D+01  0.133078D+01 -0.268383D+01
      3  -0.204798D+01 -0.102609D+01  0.133078D+01  0.350321D+00  0.135112D+01
                41            42            43            44            45 
      1  -0.268383D+01  0.135112D+01 -0.116408D+01  0.163921D+01 -0.349959D+00
      2   0.439192D+01 -0.877034D+00  0.163921D+01 -0.121313D+01 -0.433073D+00
      3  -0.877034D+00  0.100915D+00 -0.349959D+00 -0.433073D+00  0.373784D+00
                46            47            48            49            50 
      1   0.442384D+01 -0.401951D+01  0.143019D+01 -0.534805D+01  0.400513D+01
      2  -0.401951D+01  0.292422D+01 -0.970591D+00  0.400513D+01 -0.107054D+02
      3   0.143019D+01 -0.970591D+00  0.814201D+00 -0.717970D+00  0.182365D+01
                51            52            53            54            55 
      1  -0.717970D+00  0.146241D+01 -0.765267D+00  0.202891D+01  0.612711D+01
      2   0.182365D+01 -0.765267D+00  0.135913D+01 -0.285048D+01  0.103927D+01
      3  -0.225760D+01  0.202891D+01 -0.285048D+01  0.218002D+01 -0.240148D+01
                56            57            58            59            60 
      1   0.103927D+01 -0.240148D+01 -0.155160D+01  0.347436D+01  0.449392D+00
      2   0.243602D+01 -0.469564D+00  0.347436D+01 -0.196770D+00 -0.713261D+00
      3  -0.469564D+00  0.130896D+01  0.449392D+00 -0.713261D+00 -0.299632D-01
                61            62            63            64            65 
      1  -0.225192D+01 -0.788737D+00  0.180539D+01 -0.370893D+00 -0.768775D+00
      2  -0.788737D+00 -0.136318D+00  0.125391D+01 -0.768775D+00 -0.348964D+00
      3   0.180539D+01  0.125391D+01 -0.273015D+01  0.973362D+00  0.663513D-01
                66            67            68            69            70 
      1   0.973362D+00 -0.135386D+01 -0.325688D+00  0.294976D-02  0.915356D+00
      2   0.663513D-01 -0.325688D+00 -0.115441D+01  0.150766D+01  0.673693D-01
      3  -0.821260D+00  0.294976D-02  0.150766D+01 -0.174564D+01 -0.199477D+00
                71            72            73            74            75 
      1   0.673693D-01 -0.199477D+00 -0.359267D+00  0.429632D+00 -0.810666D+00
      2   0.202334D+01 -0.182972D+01  0.429632D+00  0.122423D+00 -0.128077D-01
      3  -0.182972D+01  0.719583D+01 -0.810666D+00 -0.128077D-01  0.842040D+00
                76            77            78            79            80 
      1   0.162881D+01  0.545177D+00 -0.190155D+00 -0.188905D+01 -0.122303D+00
      2   0.545177D+00  0.481715D-01 -0.984001D+00 -0.122303D+00 -0.957452D+00
      3  -0.190155D+00 -0.984001D+00  0.140202D+01  0.121350D+01  0.809949D-01
                81            82            83            84            85 
      1   0.121350D+01  0.405460D+00 -0.778394D+00  0.210836D+00 -0.250548D+01
      2   0.809949D-01 -0.778394D+00  0.414639D+00  0.793104D-01  0.174470D+01
      3  -0.755857D+01  0.210836D+00  0.793104D-01  0.210501D+00  0.253472D+00
                86            87            88            89            90 
      1   0.174470D+01  0.253472D+00  0.136033D+01 -0.892344D-01  0.426711D+00
      2  -0.700557D+01 -0.681811D+00 -0.892344D-01  0.414904D+00 -0.776946D+00
      3  -0.681811D+00 -0.776288D+00  0.426711D+00 -0.776946D+00 -0.416883D+00
                91            92            93            94            95 
      1  -0.223972D+01  0.160676D+01  0.998168D+00  0.370920D+01 -0.452329D+00
      2   0.160676D+01 -0.106447D+01 -0.707341D-01 -0.452329D+00  0.388673D+01
      3   0.998168D+00 -0.707341D-01 -0.299277D+00 -0.110568D+01 -0.820127D+00
                96            97            98            99           100 
      1  -0.110568D+01  0.163434D+00 -0.246000D+00  0.260204D+00 -0.651423D+01
      2  -0.820127D+00 -0.246000D+00 -0.866980D+00  0.783010D+00  0.517296D+00
      3   0.141104D+01  0.260204D+00  0.783010D+00 -0.131609D+01 -0.623545D+00
               101           102           103           104           105 
      1   0.517296D+00 -0.623545D+00  0.151136D+01 -0.153619D+01 -0.120800D+00
      2  -0.303574D+01 -0.251836D+00 -0.153619D+01  0.187414D+01  0.106829D+00
      3  -0.251836D+00 -0.603217D+00 -0.120800D+00  0.106829D+00  0.744029D+00
               106           107           108           109           110 
      1  -0.134753D+01 -0.118378D+00  0.385513D-01  0.953219D+00  0.901386D+00
      2  -0.118378D+00 -0.249799D+00  0.757828D+00  0.901386D+00  0.116907D+01
      3   0.385513D-01  0.757828D+00 -0.118875D+00  0.700996D+00  0.589400D+00
               111           112           113           114           115 
      1   0.700996D+00  0.837558D+00  0.833704D+00  0.506383D+00  0.112502D+01
      2   0.589400D+00  0.833704D+00  0.367450D+01  0.218325D+01  0.105265D+01
      3   0.160230D+01  0.506383D+00  0.218325D+01  0.241309D+01  0.135650D+01
               116           117           118           119           120 
      1   0.105265D+01  0.135650D+01 -0.143922D+01 -0.591869D+00  0.136297D+01
      2   0.345847D+01  0.322734D+01 -0.591869D+00 -0.421975D+00  0.731990D-01
      3   0.322734D+01  0.362420D+01  0.136297D+01  0.731990D-01 -0.125057D+01
               121           122           123           124           125 
      1  -0.105040D+01 -0.758871D+00  0.494355D+00  0.250684D+01  0.758168D+00
      2  -0.758871D+00 -0.934811D+00  0.132544D+01  0.758168D+00  0.205504D+01
      3   0.494355D+00  0.132544D+01 -0.313254D+01 -0.256442D+01 -0.278597D+01
               126 
      1  -0.256442D+01
      2  -0.278597D+01
      3   0.829182D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.170038D+00  0.111862D+00  0.355858D+00  0.835478D+00 -0.417013D+01
      2   0.461086D+01 -0.179828D+01  0.547526D+00  0.154757D+00 -0.910883D+00
      3  -0.633408D+01  0.480760D+01  0.250118D+01  0.119785D+02  0.635069D+01
                 6             7             8             9            10 
      1  -0.447114D+01 -0.169843D+01  0.173056D+01  0.502281D+01 -0.649144D+00
      2   0.813745D+00 -0.972394D+01  0.121112D+01 -0.315049D+01 -0.434408D+01
      3   0.237274D+00  0.116915D+01 -0.135960D+01  0.182721D+00  0.137723D+02
                11            12            13            14            15 
      1   0.117803D+01 -0.133045D+01  0.309802D+01 -0.918617D-01 -0.841824D+01
      2   0.144281D+01  0.806242D+01 -0.888715D+00  0.153991D+01 -0.756790D+01
      3  -0.129031D+02 -0.161654D+01  0.848731D+01  0.238990D+01 -0.303860D+01
                16            17            18            19            20 
      1  -0.693466D+00  0.728577D+01 -0.165933D+01  0.242667D+00  0.145695D+00
      2  -0.103842D+02 -0.843655D+01  0.213790D+02  0.111820D+02  0.363986D+00
      3   0.130323D+00 -0.555598D+01  0.876288D+01 -0.484715D+01 -0.815891D+01
                21            22            23            24            25 
      1  -0.255715D+00 -0.333818D+01 -0.131659D+01  0.104912D+01 -0.364500D-01
      2   0.504821D+01 -0.992230D-01 -0.381551D+00 -0.882867D+00 -0.466513D+01
      3  -0.150918D+01  0.138473D+00  0.145304D+01  0.236110D+01 -0.181007D+01
                26            27            28            29            30 
      1   0.332169D+01  0.822691D+00 -0.158079D+00  0.555919D+00  0.256160D+01
      2   0.159010D+01 -0.384397D+01 -0.171787D+01 -0.306616D+00  0.261405D+01
      3   0.133955D+01 -0.586809D+00  0.174995D+02 -0.482695D+01  0.109165D+01
                31            32            33            34            35 
      1   0.189331D+01  0.662039D+01 -0.193478D+01  0.330456D+01  0.825027D+01
      2  -0.308986D+00 -0.614410D+00  0.258225D+00 -0.397224D+01  0.484019D-01
      3   0.137651D+01 -0.158211D+01 -0.106710D+01  0.113183D+01 -0.417417D-01
                36            37            38            39            40 
      1   0.523343D+01  0.116077D+01  0.134412D+01 -0.277192D+01  0.201192D+01
      2  -0.530308D+00 -0.125936D+02  0.113657D+00 -0.372207D+01 -0.386884D+01
      3  -0.359651D+01  0.864984D+01  0.260674D+01 -0.784476D-01  0.736454D+01
                41            42            43            44            45 
      1   0.614310D+01  0.436307D+01  0.650228D-01  0.557187D+01 -0.634647D+01
      2  -0.573775D+00  0.446282D+01 -0.154561D+02  0.197804D+01  0.645275D+01
      3  -0.131047D+02 -0.158747D+01  0.191144D+01 -0.260505D+01 -0.845867D+00
                46            47            48            49            50 
      1  -0.185859D+00  0.109395D+01  0.384109D+01  0.453884D+00 -0.269593D+01
      2   0.266906D+01 -0.679070D+00  0.638570D+01  0.450329D+01  0.257097D+01
      3   0.659776D+00 -0.812315D+01  0.113716D+01  0.351048D+01  0.212164D+02
                51            52            53            54            55 
      1  -0.889739D+01 -0.471558D-01  0.201336D+01  0.240023D+01  0.242731D+01
      2  -0.688003D+01  0.311319D+01 -0.576999D+01  0.291467D+01  0.211663D+01
      3  -0.237967D+01  0.185371D+00 -0.175374D+01  0.555213D+01  0.543215D+01
                56            57            58            59            60 
      1  -0.472857D+01 -0.221246D+01 -0.480487D+01  0.204443D+01 -0.188268D+01
      2  -0.270582D+01  0.714407D+01 -0.931559D+00  0.422676D+00  0.743680D-01
      3  -0.143982D+02 -0.342667D+00 -0.113704D+02  0.455926D+01  0.352750D+01
                61            62            63            64            65 
      1  -0.119679D+01  0.319091D+01  0.183635D+01 -0.350530D+00 -0.634722D+00
      2   0.489680D+01  0.176359D+01 -0.802775D+01  0.739919D+00  0.298335D+00
      3  -0.189475D+01  0.264664D+01 -0.212873D+01 -0.130416D+00  0.159319D+00
                66            67            68            69            70 
      1  -0.279385D-01  0.351542D+00 -0.139218D+01 -0.310554D+00 -0.354305D-01
      2  -0.140231D+00  0.919525D+00  0.919088D+00 -0.544776D+00 -0.302728D+01
      3   0.330430D+00  0.238272D+01  0.222182D+00 -0.723290D+00 -0.843136D+00
                71            72            73            74            75 
      1   0.341948D+01  0.431270D+00 -0.129220D+01 -0.779040D+00  0.559320D+00
      2  -0.708636D+00  0.296856D+01  0.198292D+01  0.401022D+00  0.293696D+00
      3  -0.322750D+00  0.438544D+00  0.299441D+00 -0.168636D+01  0.310558D+00
                76            77            78            79            80 
      1  -0.872764D+00 -0.772740D+00  0.865064D+00  0.913846D+00  0.273933D+01
      2   0.169732D+01  0.135895D+01 -0.144617D+01 -0.536053D+01 -0.434854D+00
      3   0.337626D+00 -0.238276D-01 -0.721578D+00  0.106800D+01 -0.241721D+00
                81            82            83            84            85 
      1  -0.540532D+01  0.118449D+01 -0.743206D+00  0.752757D+00 -0.172185D+01
      2   0.706713D+01  0.263853D+00 -0.142387D+00  0.151159D+01 -0.151936D+01
      3  -0.578335D+00 -0.375055D+01 -0.128323D+01 -0.683895D+00  0.527992D+01
                86            87            88            89            90 
      1   0.424472D+01 -0.207623D+01  0.923308D+00 -0.237319D+00 -0.110619D+00
      2   0.153706D+01  0.333412D+00 -0.649945D+00  0.210584D+00  0.438419D+00
      3  -0.556140D+01 -0.468118D+00 -0.170481D+01  0.662063D+00 -0.855148D+00
                91            92            93            94            95 
      1  -0.379579D+01  0.405868D+01  0.286849D+00  0.475985D+01 -0.366154D+01
      2  -0.289361D+01  0.218623D+01 -0.159038D+01  0.929654D+00 -0.331290D+01
      3  -0.871988D+01  0.852320D+01  0.165249D+01  0.109607D+02 -0.123587D+02
                96            97            98            99           100 
      1  -0.206368D+01  0.118706D+00  0.684257D+00  0.108639D+01  0.194608D+01
      2   0.259320D+01 -0.176374D+01  0.188899D+01 -0.526063D+00  0.131105D+01
      3  -0.526884D+00  0.135205D+01  0.188224D+00 -0.104523D+01 -0.214214D+02
               101           102           103           104           105 
      1  -0.415693D+00  0.216241D+01 -0.391132D-01  0.752424D+00 -0.114972D+01
      2  -0.670919D+00  0.595777D+00 -0.774901D-01  0.564379D+00 -0.122224D+01
      3  -0.124757D+01 -0.176598D+01  0.316858D+01 -0.191641D+01 -0.623802D+00
               106           107           108           109           110 
      1  -0.162085D-01 -0.631727D-01  0.543390D+00 -0.790452D+00 -0.128363D+01
      2  -0.153401D+01 -0.137492D+01 -0.160091D+00 -0.101240D+00  0.417183D+00
      3  -0.387978D+01 -0.334470D+00  0.111379D+01  0.130749D+01  0.599635D+00
               111           112           113           114           115 
      1  -0.375595D+01 -0.769670D+00 -0.316640D+01 -0.537421D+01 -0.230016D+01
      2   0.935678D+00 -0.446576D+00  0.422449D+00  0.822493D+00 -0.152010D+01
      3   0.273814D+00  0.270481D+01 -0.214492D-01  0.577546D-01  0.246139D+01
               116           117           118           119           120 
      1  -0.406235D+01 -0.703846D+01  0.907010D-01  0.966017D-01 -0.165449D+00
      2   0.676730D+00  0.124101D+01 -0.447849D+01 -0.906213D-01  0.462415D+01
      3   0.611590D+00  0.171023D+01 -0.197069D+01 -0.193722D+01 -0.133169D+00
               121           122           123           124           125 
      1  -0.604951D+00 -0.136720D+01 -0.200882D+01  0.252349D+00  0.402360D+01
      2  -0.638013D-01 -0.354197D+01  0.918571D+01  0.418948D+01  0.781013D+01
      3  -0.462108D+00 -0.207563D+01  0.371297D+01  0.722992D+00  0.676699D+01
               126 
      1   0.201625D+01
      2  -0.249829D+02
      3  -0.812366D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.504275D+02  0.635630D+01  0.299320D+01  0.111025D+02  0.158523D+02
      2   0.249392D+02 -0.309046D+01 -0.263346D+01 -0.356600D+01 -0.164611D+02
      3   0.254883D+02 -0.326585D+01 -0.359735D+00 -0.753650D+01  0.608787D+00
      4   0.129684D+01 -0.965904D+01 -0.112472D+01  0.116840D+02 -0.413371D+01
      5  -0.160551D+00 -0.189849D+01 -0.575534D+01  0.164009D+01 -0.507964D+00
      6   0.325564D+01  0.631857D+00 -0.752326D-02  0.247316D+00  0.149839D+00
                 6             7             8             9            10 
      1  -0.948275D-01  0.113950D+02  0.260104D+00  0.118372D+02  0.104899D+03
      2  -0.255767D+01 -0.690341D+01 -0.109567D+01  0.214314D+01 -0.515880D+02
      3   0.265250D+01 -0.449157D+01  0.835563D+00 -0.139803D+02 -0.533112D+02
      4  -0.265786D+00  0.517175D+01  0.326113D+01  0.261221D+01 -0.345849D+00
      5   0.132047D+01  0.483105D+01  0.464796D+00 -0.317432D+01  0.561838D+01
      6   0.355380D+01  0.106981D+01  0.160078D+01 -0.154199D+01  0.792002D+00
                11            12            13            14            15 
      1  -0.994099D+01  0.205144D+01 -0.200215D+02  0.161563D+01 -0.328081D+01
      2   0.728133D+01 -0.217472D+01  0.163872D+02  0.170289D+02  0.186592D+01
      3   0.265966D+01  0.123287D+00  0.363434D+01 -0.186446D+02  0.141489D+01
      4   0.289414D+02  0.456466D+01  0.320325D+02  0.526604D+01  0.671951D+01
      5   0.406443D+01  0.156470D+02  0.923262D+00  0.701192D+01 -0.140469D+02
      6   0.787052D+00  0.503323D+00  0.245978D+01  0.348492D+01  0.102717D+02
                16            17            18            19            20 
      1  -0.123522D+00 -0.189312D+01  0.324579D+01 -0.767165D+00  0.165528D+01
      2  -0.434459D+01 -0.211689D+01 -0.104418D+02  0.266152D+01  0.135568D+01
      3   0.446811D+01  0.401001D+01  0.719603D+01 -0.189436D+01 -0.301096D+01
      4   0.329040D+01  0.896297D+01 -0.135181D+02  0.484178D+00  0.642472D+01
      5   0.244042D+02 -0.137574D+02  0.399920D+02  0.605028D+01 -0.329835D+00
      6  -0.260290D-01  0.133753D+02  0.107962D+02  0.933477D+00 -0.199592D+01
                21            22            23            24            25 
      1   0.174204D+01 -0.384622D+01  0.464771D+01 -0.577645D+01 -0.885348D+01
      2  -0.271123D+01  0.253328D+01 -0.408375D+01 -0.295650D+01  0.277980D+01
      3   0.969191D+00  0.131294D+01 -0.563957D+00  0.873295D+01  0.607368D+01
      4  -0.145981D+01 -0.709307D+01 -0.667748D+01  0.292697D+00 -0.561547D+01
      5   0.440660D+01  0.760236D-02  0.528912D+00 -0.122970D+01  0.375656D+00
      6  -0.170784D-01  0.175815D+01  0.835703D+00 -0.810059D+01 -0.119269D+01
                26            27            28            29            30 
      1  -0.575321D+01  0.373652D+01  0.414975D+01 -0.224197D+01 -0.219082D+01
      2  -0.292666D+01  0.111903D+02 -0.421544D+01  0.388900D+01  0.243304D+01
      3   0.867987D+01 -0.149268D+02  0.656964D-01 -0.164703D+01 -0.242223D+00
      4  -0.413231D+01  0.149440D+00  0.817761D+01 -0.268034D+01 -0.166449D+01
      5   0.123193D+01 -0.156465D+01 -0.139561D+01 -0.175620D+01  0.450071D+01
      6   0.142190D+01  0.414104D+01 -0.927950D+00 -0.438578D+00 -0.598466D+01
                31            32            33            34            35 
      1   0.158773D+01 -0.140032D+02  0.698451D+01  0.237431D+01  0.843767D+01
      2   0.795403D+00  0.237169D+02 -0.546050D+01  0.101509D+00 -0.758592D+01
      3  -0.238314D+01 -0.971369D+01 -0.152401D+01 -0.247582D+01 -0.851756D+00
      4   0.202922D+01  0.463913D+01 -0.306185D+01 -0.662248D+00 -0.236067D+01
      5  -0.174087D+01 -0.189412D+01 -0.826627D+00  0.208797D+01 -0.124912D+01
      6  -0.500420D+01 -0.965794D+01  0.233207D+00 -0.685688D+01 -0.706669D+01
                36            37            38            39            40 
      1   0.412991D+01 -0.463380D+01 -0.776969D+01 -0.190558D+01  0.743153D+01
      2  -0.759650D+01 -0.101304D+01  0.100125D+02 -0.338013D+01 -0.119221D+01
      3   0.346660D+01  0.564685D+01 -0.224282D+01  0.528571D+01 -0.623932D+01
      4  -0.409984D+01  0.486820D+01 -0.171825D+02  0.568509D+01 -0.240409D+02
      5  -0.327742D+01 -0.372264D+01  0.710321D+01 -0.892911D+01  0.137915D+02
      6  -0.122165D+02  0.807226D+00  0.245099D+00  0.322592D+01 -0.850184D+00
                41            42            43            44            45 
      1  -0.416674D+00  0.171177D+01  0.133809D+01  0.598270D+01 -0.329444D+01
      2  -0.124592D+02 -0.561622D+01 -0.249768D+01  0.990457D+00 -0.201728D+01
      3   0.128758D+02  0.390445D+01  0.115959D+01 -0.697316D+01  0.531172D+01
      4   0.269396D+02 -0.399715D+01  0.131839D+02  0.220331D+01  0.258646D+01
      5  -0.503511D+01  0.815662D+01 -0.246024D+01  0.176163D+01  0.540282D+01
      6   0.461543D+01 -0.747158D+01  0.140330D+01  0.273404D+01  0.484201D+01
                46            47            48            49            50 
      1   0.250979D+02 -0.104238D+02  0.414433D+01 -0.119694D+02 -0.106057D+02
      2  -0.836889D+01 -0.159922D+01 -0.261951D+01 -0.173296D+01  0.327120D+02
      3  -0.167290D+02  0.120230D+02 -0.152482D+01  0.137023D+02 -0.221063D+02
      4  -0.267028D+02  0.275193D+02 -0.592504D+01  0.324064D+02 -0.534537D+02
      5   0.103658D+02 -0.664764D+01  0.130493D+02 -0.750891D+01  0.106335D+02
      6  -0.276548D+01  0.193022D+01 -0.535744D+01  0.433499D+01 -0.589629D+01
                51            52            53            54            55 
      1   0.172606D+01  0.354389D+01  0.117594D+01 -0.106774D+01  0.400803D+02
      2  -0.841114D+00 -0.188604D+01 -0.131461D+01 -0.852148D+00 -0.238849D+02
      3  -0.884949D+00 -0.165785D+01  0.138671D+00  0.191989D+01 -0.161954D+02
      4   0.849171D+01 -0.611521D+01  0.575010D+01 -0.143193D+02  0.164205D+02
      5  -0.148922D+02  0.151565D+02 -0.143245D+02  0.109736D+02 -0.137203D+02
      6   0.132307D+02 -0.681679D+01  0.120740D+02 -0.601329D+01 -0.271000D+01
                56            57            58            59            60 
      1   0.472306D+01 -0.713914D+01 -0.603758D+01  0.104025D+02  0.282376D+01
      2  -0.229781D+00  0.871390D+01  0.703594D+01 -0.258651D+01 -0.777759D+00
      3  -0.449328D+01 -0.157477D+01 -0.998355D+00 -0.781596D+01 -0.204600D+01
      4   0.190514D+02 -0.496199D+01  0.187065D+02  0.680271D+01 -0.264006D+01
      5  -0.401467D+01  0.160455D+02 -0.112453D+01 -0.430710D+01  0.116624D+01
      6  -0.181279D+01  0.389432D+01 -0.821608D+00 -0.193969D+01  0.665773D+01
                61            62            63            64            65 
      1  -0.315427D+01 -0.152538D+01  0.194604D+01 -0.393232D+00 -0.109797D+00
      2   0.430384D+01  0.142482D+01 -0.109788D+02 -0.355252D+01 -0.846115D+00
      3  -0.114957D+01  0.100556D+00  0.903277D+01  0.394575D+01  0.955911D+00
      4  -0.614589D+01 -0.550726D+01  0.672540D+01  0.206990D+00  0.899421D+00
      5   0.159154D+02  0.610678D+01 -0.177850D+02 -0.105817D+01 -0.126735D+01
      6   0.238660D+01  0.543807D+01 -0.372424D+01 -0.157880D+01 -0.502703D+00
                66            67            68            69            70 
      1   0.900403D+00 -0.678795D-01 -0.471903D+01  0.420839D+01  0.195204D+01
      2   0.114696D+01 -0.968500D+00 -0.263448D+00  0.214819D+01  0.317564D+00
      3  -0.204736D+01  0.103638D+01  0.498248D+01 -0.635658D+01 -0.226960D+01
      4  -0.773830D+00  0.283226D+01  0.560507D+00  0.101000D+00 -0.564730D+00
      5   0.475872D+01 -0.146281D+01  0.229249D-01  0.156190D+00  0.425514D+01
      6   0.162552D+00 -0.777024D+00 -0.451518D+01  0.794474D+01  0.692888D+00
                71            72            73            74            75 
      1   0.344253D+01 -0.181046D+02  0.352965D+01 -0.595286D+00  0.234640D+01
      2   0.441254D+01 -0.142331D+02 -0.476647D+01 -0.293141D-01  0.793877D+00
      3  -0.785507D+01  0.323377D+02  0.123683D+01  0.624600D+00 -0.314028D+01
      4   0.979799D+00 -0.485001D+00 -0.110829D+00  0.169850D+01  0.730794D+00
      5  -0.526793D+00  0.179366D+01 -0.109091D+01 -0.595161D-02  0.562431D+01
      6   0.565579D+01 -0.656821D+01 -0.271803D+00 -0.527806D+00 -0.306810D+00
                76            77            78            79            80 
      1  -0.362024D+01 -0.476815D+01  0.267353D+01  0.613946D+01  0.104669D+00
      2   0.125949D+01  0.201112D+01  0.149901D+01 -0.385632D+00  0.126707D+01
      3   0.236075D+01  0.275703D+01 -0.417253D+01 -0.575382D+01 -0.137174D+01
      4  -0.454869D+00 -0.565776D+00  0.131384D+01  0.167917D+01  0.831545D+00
      5   0.209287D+00  0.101668D+01 -0.155131D+01  0.225037D+01 -0.191185D+00
      6  -0.607127D+00 -0.667551D+00  0.415397D+01 -0.101328D+01  0.387883D+01
                81            82            83            84            85 
      1  -0.211711D+02  0.212195D+01  0.237796D+01  0.636560D-01  0.105416D+02
      2  -0.929980D+01  0.169641D+01 -0.296002D+01  0.387377D+00 -0.956821D+01
      3   0.304709D+02 -0.381837D+01  0.582061D+00 -0.451033D+00 -0.973408D+00
      4  -0.169629D+01 -0.133810D+01  0.657643D+01  0.544352D+00  0.190765D+01
      5   0.724611D+01 -0.250660D+00  0.109194D+01  0.237024D+01  0.486556D+00
      6   0.446124D+01 -0.796664D-01 -0.623796D+00 -0.536836D+00 -0.129815D+01
                86            87            88            89            90 
      1  -0.230199D+02 -0.287354D+01 -0.247775D+01  0.421957D+00 -0.475087D+01
      2   0.307553D+02  0.224161D+01  0.222833D+01 -0.984926D+00  0.233396D+01
      3  -0.773534D+01  0.631933D+00  0.249425D+00  0.562969D+00  0.241690D+01
      4   0.478099D+01  0.746193D-01  0.137840D+00 -0.923956D+00 -0.275076D-01
      5  -0.139575D+00  0.212291D+00  0.852544D+00  0.385861D+00  0.171359D+00
      6   0.507958D+01  0.429326D+01 -0.177377D+01  0.485848D+01  0.882001D+00
                91            92            93            94            95 
      1  -0.126646D+02  0.552685D+01  0.180847D+01  0.122212D+02 -0.862626D+01
      2   0.994525D+01 -0.225817D+01 -0.319797D+01 -0.700502D+01  0.934822D+01
      3   0.271939D+01 -0.326868D+01  0.138950D+01 -0.521614D+01 -0.721965D+00
      4   0.144047D+01 -0.276795D+01  0.134461D+01  0.357633D+01  0.133665D+02
      5   0.382640D+01  0.421906D-01 -0.387141D+01 -0.427113D+01 -0.266335D+01
      6   0.203641D+01 -0.804515D-01  0.270372D+00 -0.281646D+01 -0.437898D+01
                96            97            98            99           100 
      1  -0.602942D+00  0.191853D+01  0.244748D+01 -0.308645D+01  0.514607D+01
      2   0.586795D+00 -0.137407D+01 -0.193643D+01  0.120330D+01  0.124641D+01
      3   0.161462D-01 -0.544464D+00 -0.511056D+00  0.188314D+01 -0.639248D+01
      4  -0.473904D+01 -0.163278D+00 -0.206626D+01  0.196542D+01 -0.122068D+02
      5   0.537329D+01  0.140921D+01  0.213462D+01 -0.177563D+01 -0.194394D+01
      6   0.361253D+01  0.235010D+00  0.361099D+01 -0.372435D+01 -0.697950D+00
               101           102           103           104           105 
      1   0.819085D+01  0.208083D+01  0.287054D+01 -0.222914D+01 -0.401593D+00
      2  -0.118461D+02 -0.685696D+00 -0.570613D+01  0.568535D+01 -0.352141D-01
      3   0.365524D+01 -0.139513D+01  0.283559D+01 -0.345622D+01  0.436807D+00
      4   0.702928D+01 -0.124433D+01  0.769536D+01 -0.704665D+01 -0.103193D+00
      5   0.161278D+00 -0.408644D+00  0.696274D+00 -0.516168D+00 -0.177814D+01
      6  -0.208752D+01 -0.346986D+01 -0.123747D+01  0.927670D+00  0.254562D+01
               106           107           108           109           110 
      1  -0.217011D+00  0.382880D+00 -0.160980D+01 -0.156564D+01 -0.264524D+01
      2  -0.110356D-01 -0.767794D+00  0.694767D+00  0.162547D+01  0.269612D+01
      3   0.228047D+00  0.384914D+00  0.915029D+00 -0.598391D-01 -0.508781D-01
      4  -0.199866D+01 -0.315910D+00 -0.146552D+01  0.305685D+01  0.524344D+01
      5   0.167510D+01 -0.151521D+01 -0.537443D+00  0.236487D+01  0.304918D+01
      6   0.145097D+00  0.351090D+01 -0.259854D+00  0.389052D+01  0.470229D+01
               111           112           113           114           115 
      1  -0.207241D+01 -0.243157D+01 -0.128659D+02 -0.828400D+01 -0.360659D+01
      2   0.831486D+00  0.272132D+01  0.143267D+02  0.803440D+01  0.168118D+01
      3   0.124092D+01 -0.289752D+00 -0.146078D+01  0.249591D+00  0.192540D+01
      4   0.418015D+01  0.447581D+01  0.361913D+01  0.262116D+01  0.396123D+01
      5   0.415027D+01  0.136102D+01  0.224134D+01  0.166961D+01  0.391298D+01
      6   0.693370D+01  0.334473D+01  0.149322D+02  0.143827D+02  0.651519D+01
               116           117           118           119           120 
      1  -0.126653D+02 -0.132539D+02  0.777978D+01  0.368782D+01 -0.817634D+01
      2   0.100371D+02  0.639135D+01 -0.590129D+01 -0.177113D+01  0.477284D+01
      3   0.262815D+01  0.686258D+01 -0.187849D+01 -0.191669D+01  0.340350D+01
      4   0.433325D+01  0.498414D+01  0.384621D+01  0.464646D+01 -0.223005D+01
      5   0.311586D+01  0.433986D+01 -0.739815D+01 -0.192671D+01  0.130371D+02
      6   0.185696D+02  0.189319D+02 -0.268363D+01 -0.226952D+00  0.690016D+00
               121           122           123           124           125 
      1   0.284361D+01 -0.175781D+01  0.274255D+01 -0.855192D+01  0.737472D+00
      2  -0.220225D+01  0.125684D+01 -0.124378D+01  0.766699D+01  0.215328D+01
      3  -0.641366D+00  0.500963D+00 -0.149877D+01  0.884925D+00 -0.289075D+01
      4   0.600738D+01  0.499622D+01 -0.732260D+01 -0.615878D+01 -0.110157D+02
      5  -0.300735D+01 -0.639194D+01  0.162703D+02  0.170986D+02  0.154562D+02
      6  -0.124789D+01 -0.530433D+01  0.931742D+01  0.432505D+01  0.607864D+01
               126 
      1  -0.163998D+01
      2  -0.116209D+02
      3   0.132609D+02
      4   0.165885D+02
      5  -0.443202D+02
      6  -0.123406D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:16:57 2021, MaxMem=  5368709120 cpu:            8944.8 elap:            1119.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.46696 -19.51875 -19.46690 -14.64549 -10.57919
 Alpha  occ. eigenvalues --  -10.50936 -10.49771  -8.13400  -6.12636  -6.12334
 Alpha  occ. eigenvalues --   -6.11810  -1.25351  -1.16329  -1.07301  -0.95312
 Alpha  occ. eigenvalues --   -0.86823  -0.77359  -0.73552  -0.67183  -0.65804
 Alpha  occ. eigenvalues --   -0.62440  -0.58870  -0.57280  -0.55205  -0.52624
 Alpha  occ. eigenvalues --   -0.51924  -0.49107  -0.45938  -0.43813  -0.42168
 Alpha  occ. eigenvalues --   -0.38381  -0.36729
 Alpha virt. eigenvalues --   -0.02011  -0.00475  -0.00272   0.00551   0.02065
 Alpha virt. eigenvalues --    0.02186   0.02978   0.03991   0.05132   0.06326
 Alpha virt. eigenvalues --    0.06764   0.08114   0.08228   0.08914   0.09171
 Alpha virt. eigenvalues --    0.10033   0.11431   0.11825   0.12186   0.13085
 Alpha virt. eigenvalues --    0.13232   0.13823   0.14337   0.15766   0.16505
 Alpha virt. eigenvalues --    0.17148   0.17362   0.19655   0.20444   0.21761
 Alpha virt. eigenvalues --    0.22230   0.23803   0.24015   0.25289   0.25605
 Alpha virt. eigenvalues --    0.26527   0.27056   0.28104   0.28536   0.29655
 Alpha virt. eigenvalues --    0.30122   0.31019   0.31502   0.32964   0.34912
 Alpha virt. eigenvalues --    0.35958   0.37063   0.37181   0.38111   0.39672
 Alpha virt. eigenvalues --    0.40149   0.41078   0.42108   0.43218   0.43795
 Alpha virt. eigenvalues --    0.44607   0.45884   0.46786   0.47296   0.47455
 Alpha virt. eigenvalues --    0.48079   0.49082   0.50072   0.50555   0.52934
 Alpha virt. eigenvalues --    0.54109   0.54787   0.56716   0.57194   0.57341
 Alpha virt. eigenvalues --    0.59341   0.59655   0.61006   0.61744   0.62328
 Alpha virt. eigenvalues --    0.63663   0.64605   0.66252   0.66883   0.68800
 Alpha virt. eigenvalues --    0.70034   0.71578   0.73323   0.74378   0.74564
 Alpha virt. eigenvalues --    0.76186   0.76415   0.78140   0.80332   0.80966
 Alpha virt. eigenvalues --    0.81984   0.84134   0.87138   0.88875   0.89507
 Alpha virt. eigenvalues --    0.90994   0.91773   0.92489   0.96969   0.97699
 Alpha virt. eigenvalues --    0.99246   1.01066   1.01319   1.02392   1.04374
 Alpha virt. eigenvalues --    1.05717   1.06588   1.08806   1.11088   1.12762
 Alpha virt. eigenvalues --    1.13032   1.13937   1.15437   1.16050   1.18021
 Alpha virt. eigenvalues --    1.21604   1.23900   1.24156   1.25247   1.27351
 Alpha virt. eigenvalues --    1.28808   1.30979   1.33880   1.36408   1.39834
 Alpha virt. eigenvalues --    1.41787   1.47179   1.48566   1.50970   1.52369
 Alpha virt. eigenvalues --    1.55538   1.55679   1.59302   1.63872   1.68322
 Alpha virt. eigenvalues --    1.69573   1.72148   1.72666   1.74592   1.78700
 Alpha virt. eigenvalues --    1.79399   1.80479   1.83649   1.85191   1.85601
 Alpha virt. eigenvalues --    1.87262   1.90940   1.93360   1.97652   1.98737
 Alpha virt. eigenvalues --    2.01252   2.04029   2.08505   2.10593   2.11964
 Alpha virt. eigenvalues --    2.12715   2.13583   2.17390   2.19474   2.20483
 Alpha virt. eigenvalues --    2.21297   2.24400   2.27034   2.29741   2.32973
 Alpha virt. eigenvalues --    2.33988   2.35537   2.42652   2.44520   2.46112
 Alpha virt. eigenvalues --    2.50290   2.53093   2.62491   2.62557   2.66503
 Alpha virt. eigenvalues --    2.71867   2.76473   2.81189   2.84048   2.87374
 Alpha virt. eigenvalues --    3.03567   3.04186   3.06557   3.20794   3.30550
 Alpha virt. eigenvalues --    3.42282   3.44696   3.45110   3.48449   3.50674
 Alpha virt. eigenvalues --    3.52224   3.53121   3.61933   3.76564   3.85978
 Alpha virt. eigenvalues --    4.00326
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.296347   0.334943  -0.263736  -0.002468   0.055936   0.003539
     2  S    0.334943  15.387704   0.014360  -0.007995  -0.052546   0.001397
     3  C   -0.263736   0.014360   7.779982   0.243626  -1.438094  -0.017311
     4  N   -0.002468  -0.007995   0.243626   6.229859   0.019840  -0.012133
     5  C    0.055936  -0.052546  -1.438094   0.019840   6.787290   0.625204
     6  O    0.003539   0.001397  -0.017311  -0.012133   0.625204   7.694924
     7  O   -0.019170   0.000679   0.195686  -0.063942   0.024824  -0.053955
     8  H    0.184302  -0.066087  -0.718188  -0.022387  -0.018358   0.016923
     9  H    0.273612  -0.245335  -0.000821  -0.041264  -0.091771   0.013745
    10  H    0.118503  -0.114040  -0.033320   0.060783   0.058152  -0.024592
    11  H    0.012419  -0.003543  -0.213781   0.059596   0.006192   0.005022
    12  H   -0.064409   0.017100  -0.109155   0.176018   0.007956   0.000225
    13  H   -0.046968   0.005151   0.249177   0.306287  -0.076260   0.003158
    14  H    0.010690   0.329325  -0.043592  -0.008376  -0.005357  -0.000089
               7          8          9         10         11         12
     1  C   -0.019170   0.184302   0.273612   0.118503   0.012419  -0.064409
     2  S    0.000679  -0.066087  -0.245335  -0.114040  -0.003543   0.017100
     3  C    0.195686  -0.718188  -0.000821  -0.033320  -0.213781  -0.109155
     4  N   -0.063942  -0.022387  -0.041264   0.060783   0.059596   0.176018
     5  C    0.024824  -0.018358  -0.091771   0.058152   0.006192   0.007956
     6  O   -0.053955   0.016923   0.013745  -0.024592   0.005022   0.000225
     7  O    7.912304   0.003909   0.027952  -0.008733   0.220675   0.006741
     8  H    0.003909   2.002073   0.096435  -0.085336   0.020966   0.067953
     9  H    0.027952   0.096435   1.473235  -0.365790  -0.006292  -0.028721
    10  H   -0.008733  -0.085336  -0.365790   1.660199   0.006560   0.020896
    11  H    0.220675   0.020966  -0.006292   0.006560   0.700678   0.017090
    12  H    0.006741   0.067953  -0.028721   0.020896   0.017090   1.059230
    13  H   -0.005152  -0.138427   0.005004  -0.011191  -0.017748  -0.179163
    14  H    0.001205  -0.009221   0.037769  -0.062308  -0.000537  -0.008680
              13         14
     1  C   -0.046968   0.010690
     2  S    0.005151   0.329325
     3  C    0.249177  -0.043592
     4  N    0.306287  -0.008376
     5  C   -0.076260  -0.005357
     6  O    0.003158  -0.000089
     7  O   -0.005152   0.001205
     8  H   -0.138427  -0.009221
     9  H    0.005004   0.037769
    10  H   -0.011191  -0.062308
    11  H   -0.017748  -0.000537
    12  H   -0.179163  -0.008680
    13  H    0.890718   0.002863
    14  H    0.002863   0.797361
 Mulliken charges:
               1
     1  C    0.106459
     2  S    0.398886
     3  C    0.355165
     4  N    0.062556
     5  C    0.096992
     6  O   -0.256056
     7  O   -0.243023
     8  H   -0.334556
     9  H   -0.147760
    10  H   -0.219784
    11  H    0.192703
    12  H    0.016919
    13  H    0.012552
    14  H   -0.041055
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.261086
     2  S    0.357832
     3  C    0.020610
     4  N    0.092027
     5  C    0.096992
     6  O   -0.256056
     7  O   -0.050320
 Electronic spatial extent (au):  <R**2>=           1108.4502
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.0036    Y=              2.5976    Z=              1.3586  Tot=              4.1970
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.6402   YY=            -50.1802   ZZ=            -46.3546
   XY=              5.7420   XZ=             -1.5290   YZ=              2.3231
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.5818   YY=              2.8781   ZZ=              6.7037
   XY=              5.7420   XZ=             -1.5290   YZ=              2.3231
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -9.3501  YYY=             13.8113  ZZZ=              2.3720  XYY=             -2.0388
  XXY=             12.4091  XXZ=             10.5013  XZZ=              0.5179  YZZ=              3.2413
  YYZ=              2.4896  XYZ=              6.2609
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1117.0707 YYYY=           -274.3169 ZZZZ=           -112.1073 XXXY=             15.8628
 XXXZ=            -21.7618 YYYX=             13.7835 YYYZ=             12.6910 ZZZX=             -2.9435
 ZZZY=              0.8741 XXYY=           -237.2653 XXZZ=           -187.9852 YYZZ=            -61.4026
 XXYZ=             -3.9060 YYXZ=             -7.2467 ZZXY=              5.3673
 N-N= 3.760605128178D+02 E-N=-2.454975781130D+03  KE= 7.184133010713D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:16:58 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.15728074D+00 1.02435809D+00 5.10759384D-01
 Polarizability= 8.39122357D+01-1.22661263D+00 6.70540663D+01
                -2.45923502D+00-2.72873624D+00 5.72487413D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.2526    1.2576       -0.4463   -0.4532
 2     -1.2526   -1.2576        1.1705    1.1673       -7.9895   -8.0119
 3      0.4463    0.4532       13.5475   13.5696       -1.1674   -1.1673
 4     -1.1705   -1.1673       -0.0000    0.0000        0.4527    0.4532
 5     -5.5580   -5.5577       -0.4527   -0.4532        1.2399    1.2576
 6      1.1674    1.1673       -1.2399   -1.2576        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.7727   -3.7727       -1.3597   -1.3597
 2     -3.5019   -3.5019        0.0000    0.0000       -1.3597   -1.3597
 3     -3.5019   -3.5019       -3.7727   -3.7727        0.0000    0.0000
 4     -3.7727   -3.7727        3.5019    3.5019      -24.0358  -24.0358
 5      1.3597    1.3597       40.7088   40.7088       -3.5019   -3.5019
 6    -16.6730  -16.6730       -1.3597   -1.3597        3.7727    3.7727
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1383    0.0000       -5.1200   -5.0303        2.1174    1.8130
 2      5.3538    5.0303       -4.7635   -4.6692       32.8951   32.0478
 3     -1.9944   -1.8130      -53.6042  -54.2784        5.1352    4.6692
 4      4.8076    4.6692        0.1522    0.0000       -1.5932   -1.8130
 5     22.2690   22.2307        1.7900    1.8130       -4.8486   -5.0303
 6     -4.7050   -4.6692        5.0056    5.0303        0.0366    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0974    0.0000        6.7333    6.7188       -2.0309   -2.0715
 2     -6.4794   -6.7188      -15.2665  -13.9042       23.7567   23.8469
 3      2.3787    2.0715        5.7193    5.9159       14.8495   13.9042
 4     13.9014   13.9042        0.4176    0.0000        1.9959    2.0715
 5    -28.7516  -29.7628       -1.1420   -2.0715        7.0669    6.7188
 6    -13.9657  -13.9042       -7.5570   -6.7188        0.0091    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     14.7530   14.6768       22.5325   23.2604      -17.7797  -17.3802
 2     33.7414   33.6972       21.8434   21.3755      -17.6272  -17.3802
 3     33.8725   33.6972       23.4678   23.2604      -19.2442  -18.8169
 4      2.0946    1.8849      -19.8741  -19.0204       23.9304   23.9944
 5     -0.9932   -1.4367       31.3458   30.9958       19.7065   19.0204
 6    -54.0884  -54.9902        2.4750    1.4367       -1.9658   -1.8849
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.8885    0.0028    0.0030    0.0033    0.9683    4.2559
 Low frequencies ---   76.2789  110.7458  172.8113
 Diagonal vibrational polarizability:
       26.4147812      25.2900046      19.2838414
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     76.2785               110.7458               172.8113
 Red. masses --      6.9221                 2.6423                 6.4931
 Frc consts  --      0.0237                 0.0191                 0.1142
 IR Inten    --      2.6000                 6.3928                 9.4712
 RamAct Fr= 1--      1.0346                 0.5919                 0.5060
  Dep-P Fr= 1--      0.7429                 0.6847                 0.7465
  Dep-U Fr= 1--      0.8525                 0.8129                 0.8549
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0000
 Beta2  Fr= 1--      0.1470                 0.0802                 0.0721
 AlphaG Fr= 1--      0.0015                -0.0026                -0.0001
 Gamma2 Fr= 1--      0.6264                 0.3956                -0.1733
 Delta2 Fr= 1--      0.2574                 0.1675                -0.0509
 Raman1 Fr= 1--       4.138                  2.367                  2.024
 ROA1   Fr= 1--      68.369                 43.341                -18.262
 CID1   Fr= 1--      16.520                 18.307                 -9.023
 Raman2 Fr= 1--       1.764                  0.962                  0.865
 ROA2   Fr= 1--      12.974                  8.156                 -3.751
 CID2   Fr= 1--       7.355                  8.476                 -4.336
 Raman3 Fr= 1--       3.528                  1.924                  1.730
 ROA3   Fr= 1--      68.369                 43.341                -18.262
 CID3   Fr= 1--      19.380                 22.522                -10.555
 RC180  Fr= 1--       0.705                  0.626                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.05    -0.00  -0.18   0.20    -0.13  -0.09  -0.21
     2  16    -0.03  -0.10   0.12     0.02   0.07  -0.06    -0.06   0.14   0.10
     3   6    -0.01   0.10  -0.13     0.02  -0.03   0.06    -0.05  -0.21  -0.20
     4   7     0.03   0.09  -0.24    -0.06  -0.05  -0.04    -0.10  -0.20  -0.12
     5   6    -0.01   0.01  -0.02     0.02   0.01  -0.02     0.07  -0.03  -0.02
     6   8    -0.21  -0.12  -0.17     0.03  -0.02  -0.13     0.25   0.08   0.13
     7   8     0.26   0.09   0.32    -0.01   0.08   0.06     0.07   0.10   0.13
     8   1    -0.04   0.21  -0.10     0.11   0.05   0.10    -0.09  -0.27  -0.22
     9   1    -0.13   0.04  -0.06     0.08  -0.47   0.13    -0.23  -0.00  -0.20
    10   1     0.07   0.04  -0.05    -0.10  -0.16   0.49    -0.25  -0.12  -0.31
    11   1     0.30   0.12   0.26    -0.06   0.06   0.10    -0.06  -0.01   0.02
    12   1     0.07   0.09  -0.46    -0.06  -0.12  -0.15    -0.12  -0.23  -0.02
    13   1    -0.16   0.14  -0.20    -0.16   0.03  -0.05    -0.05  -0.24  -0.11
    14   1     0.16  -0.03   0.16    -0.13   0.48   0.09     0.14   0.19   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    248.9407               271.4012               332.6766
 Red. masses --      1.9060                 2.0089                 2.9271
 Frc consts  --      0.0696                 0.0872                 0.1909
 IR Inten    --      4.2024                 8.5202                25.5634
 RamAct Fr= 1--      2.7909                 0.9387                 0.8429
  Dep-P Fr= 1--      0.1823                 0.2690                 0.2909
  Dep-U Fr= 1--      0.3084                 0.4239                 0.4507
 Alpha2 Fr= 1--      0.0397                 0.0105                 0.0089
 Beta2  Fr= 1--      0.1435                 0.0663                 0.0633
 AlphaG Fr= 1--      0.0327                -0.0147                -0.0181
 Gamma2 Fr= 1--      0.1990                -0.1984                 0.1633
 Delta2 Fr= 1--     -0.0795                 0.2197                 0.2032
 Raman1 Fr= 1--      11.164                  3.755                  3.371
 ROA1   Fr= 1--      16.556                -12.014                 22.180
 CID1   Fr= 1--       1.483                 -3.200                  6.579
 Raman2 Fr= 1--       1.722                  0.796                  0.760
 ROA2   Fr= 1--       5.411                 -6.519                  2.294
 CID2   Fr= 1--       3.143                 -8.191                  3.019
 Raman3 Fr= 1--       3.443                  1.592                  1.520
 ROA3   Fr= 1--      16.556                -12.014                 22.180
 CID3   Fr= 1--       4.808                 -7.548                 14.597
 RC180  Fr= 1--      -0.383                 -0.152                 -0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.09    -0.05   0.04   0.01    -0.02  -0.05   0.02
     2  16     0.11   0.00   0.02    -0.12  -0.06  -0.04    -0.02   0.00  -0.01
     3   6    -0.03  -0.00  -0.02     0.01   0.01  -0.02     0.02   0.03  -0.06
     4   7    -0.09  -0.01   0.03     0.11   0.03   0.07    -0.18   0.01   0.11
     5   6    -0.05   0.01   0.01     0.04  -0.01  -0.02     0.02   0.06  -0.07
     6   8    -0.09  -0.01   0.02     0.07   0.01   0.01    -0.09   0.05   0.03
     7   8    -0.06  -0.02  -0.02     0.04  -0.01  -0.01     0.24  -0.06  -0.06
     8   1    -0.08  -0.06  -0.04     0.04  -0.01  -0.02     0.14  -0.10  -0.08
     9   1     0.05   0.06  -0.08    -0.08   0.02   0.00    -0.05  -0.19  -0.02
    10   1     0.10  -0.00  -0.14    -0.01   0.04   0.02    -0.03  -0.04   0.17
    11   1    -0.03   0.01   0.03     0.07   0.02   0.04     0.38  -0.01  -0.32
    12   1    -0.08  -0.07  -0.13     0.16   0.11  -0.10    -0.29  -0.08   0.62
    13   1    -0.26  -0.02   0.10     0.01  -0.04   0.15     0.19  -0.05   0.01
    14   1     0.45   0.70   0.32     0.15   0.85   0.34    -0.04   0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    352.1829               409.7320               550.5299
 Red. masses --      1.2327                 2.8004                 4.0976
 Frc consts  --      0.0901                 0.2770                 0.7317
 IR Inten    --     16.0324                 5.7726                 2.4947
 RamAct Fr= 1--      0.5946                 1.4561                 1.8152
  Dep-P Fr= 1--      0.2852                 0.2767                 0.5575
  Dep-U Fr= 1--      0.4438                 0.4335                 0.7159
 Alpha2 Fr= 1--      0.0064                 0.0160                 0.0066
 Beta2  Fr= 1--      0.0440                 0.1052                 0.2166
 AlphaG Fr= 1--      0.0252                -0.0183                 0.0029
 Gamma2 Fr= 1--     -0.2127                -0.4466                 0.4319
 Delta2 Fr= 1--      0.0603                -0.0535                 0.1848
 Raman1 Fr= 1--       2.379                  5.824                  7.261
 ROA1   Fr= 1--     -18.490                -44.581                 47.377
 CID1   Fr= 1--      -7.774                 -7.654                  6.525
 Raman2 Fr= 1--       0.528                  1.262                  2.599
 ROA2   Fr= 1--      -5.587                -10.289                  8.887
 CID2   Fr= 1--     -10.585                 -8.151                  3.419
 Raman3 Fr= 1--       1.056                  2.525                  5.198
 ROA3   Fr= 1--     -18.490                -44.581                 47.377
 CID3   Fr= 1--     -17.515                -17.658                  9.114
 RC180  Fr= 1--      -0.112                 -0.133                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.05  -0.16  -0.04    -0.05  -0.05  -0.07
     2  16     0.02  -0.02  -0.01     0.04   0.00   0.01     0.04  -0.00   0.01
     3   6    -0.02  -0.01  -0.00    -0.03  -0.03  -0.15    -0.14   0.13  -0.11
     4   7     0.05  -0.02  -0.05     0.18   0.03   0.09    -0.08   0.25   0.05
     5   6    -0.04   0.00   0.01    -0.06   0.05  -0.07    -0.03  -0.10   0.07
     6   8    -0.03   0.00  -0.01    -0.12   0.07   0.08     0.23  -0.05  -0.09
     7   8    -0.05   0.04   0.05    -0.02   0.06  -0.02    -0.05  -0.13   0.07
     8   1    -0.04  -0.01   0.00    -0.03  -0.07  -0.16    -0.33   0.16  -0.13
     9   1     0.01  -0.02  -0.01    -0.07  -0.51  -0.13    -0.04  -0.47  -0.17
    10   1     0.01  -0.01   0.02    -0.08  -0.14   0.29    -0.04  -0.02   0.36
    11   1    -0.15  -0.04  -0.11     0.01   0.11   0.15     0.05  -0.08   0.02
    12   1    -0.02   0.10   0.56     0.28   0.23  -0.16    -0.10   0.29   0.25
    13   1     0.69  -0.01  -0.29    -0.03  -0.25   0.34     0.03   0.05   0.14
    14   1     0.10   0.20   0.08    -0.02  -0.23  -0.08     0.16  -0.10  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    655.9487               659.1046               775.6721
 Red. masses --      4.5661                 5.2890                 2.2402
 Frc consts  --      1.1575                 1.3537                 0.7941
 IR Inten    --     10.9938                 7.3955                14.9029
 RamAct Fr= 1--      1.8360                14.2198                 2.4257
  Dep-P Fr= 1--      0.2472                 0.1877                 0.3144
  Dep-U Fr= 1--      0.3965                 0.3161                 0.4784
 Alpha2 Fr= 1--      0.0219                 0.1994                 0.0238
 Beta2  Fr= 1--      0.1213                 0.7492                 0.1934
 AlphaG Fr= 1--     -0.0074                 0.1280                 0.0310
 Gamma2 Fr= 1--     -0.7396                 1.6736                -1.8725
 Delta2 Fr= 1--     -0.0523                 0.4272                -0.4291
 Raman1 Fr= 1--       7.344                 56.879                  9.703
 ROA1   Fr= 1--     -72.679                174.339               -193.492
 CID1   Fr= 1--      -9.896                  3.065                -19.942
 Raman2 Fr= 1--       1.456                  8.991                  2.321
 ROA2   Fr= 1--     -17.332                 36.750                -41.508
 CID2   Fr= 1--     -11.905                  4.087                -17.884
 Raman3 Fr= 1--       2.912                 17.981                  4.642
 ROA3   Fr= 1--     -72.679                174.339               -193.492
 CID3   Fr= 1--     -24.961                  9.696                -41.683
 RC180  Fr= 1--      -0.207                 -0.368                 -0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.01     0.26  -0.16  -0.22     0.14   0.10  -0.01
     2  16     0.04  -0.00  -0.00    -0.16   0.04   0.04    -0.05   0.01   0.00
     3   6    -0.22  -0.06   0.17     0.08   0.01   0.06    -0.00   0.02   0.03
     4   7     0.09  -0.11  -0.02     0.02   0.00  -0.00     0.00  -0.08   0.01
     5   6    -0.13   0.17   0.15     0.16   0.14   0.28    -0.15  -0.05  -0.15
     6   8     0.04   0.19  -0.16    -0.07  -0.05  -0.07     0.03   0.08   0.00
     7   8     0.11  -0.15  -0.02    -0.02   0.00  -0.09    -0.00  -0.05   0.08
     8   1    -0.36  -0.03   0.16    -0.25  -0.02  -0.00     0.10  -0.06   0.02
     9   1    -0.01   0.18   0.06     0.38  -0.42  -0.26     0.41  -0.28  -0.05
    10   1    -0.05  -0.08  -0.22     0.08  -0.15   0.15    -0.02   0.12   0.41
    11   1     0.46   0.06  -0.21     0.00   0.03   0.03     0.03  -0.05  -0.12
    12   1     0.23   0.22  -0.30    -0.01  -0.07   0.06     0.04  -0.08  -0.14
    13   1     0.11  -0.05  -0.07     0.03   0.04  -0.03     0.00   0.06  -0.08
    14   1     0.01   0.01   0.00     0.38  -0.12  -0.00     0.59  -0.19  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.1477               855.5672               862.5294
 Red. masses --      2.2970                 2.0354                 1.2702
 Frc consts  --      0.8686                 0.8778                 0.5567
 IR Inten    --      1.4021                28.6318                55.7951
 RamAct Fr= 1--      5.4415                 9.4481                 2.4810
  Dep-P Fr= 1--      0.2799                 0.0632                 0.2781
  Dep-U Fr= 1--      0.4374                 0.1189                 0.4351
 Alpha2 Fr= 1--      0.0592                 0.1808                 0.0271
 Beta2  Fr= 1--      0.3967                 0.1872                 0.1799
 AlphaG Fr= 1--      0.0208                -0.1447                 0.0919
 Gamma2 Fr= 1--     -1.0564                 0.8618                 0.2170
 Delta2 Fr= 1--     -0.2943                 0.0888                 0.2821
 Raman1 Fr= 1--      21.766                 37.792                  9.924
 ROA1   Fr= 1--    -110.835                 85.569                 29.855
 CID1   Fr= 1--      -5.092                  2.264                  3.008
 Raman2 Fr= 1--       4.760                  2.247                  2.159
 ROA2   Fr= 1--     -23.000                 19.972                  2.951
 CID2   Fr= 1--      -4.832                  8.890                  1.366
 Raman3 Fr= 1--       9.521                  4.493                  4.318
 ROA3   Fr= 1--    -110.835                 85.569                 29.855
 CID3   Fr= 1--     -11.642                 19.043                  6.913
 RC180  Fr= 1--      -0.125                 -0.762                 -0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.15  -0.00    -0.03   0.11   0.04    -0.00  -0.02   0.00
     2  16    -0.04   0.02   0.02     0.01  -0.02  -0.00    -0.01   0.00  -0.00
     3   6     0.04  -0.01  -0.02     0.12  -0.00  -0.11    -0.06  -0.02   0.06
     4   7     0.02   0.08  -0.02     0.03  -0.05  -0.06    -0.02   0.02  -0.03
     5   6    -0.12  -0.02  -0.09    -0.03   0.07   0.10     0.00  -0.04  -0.06
     6   8     0.02   0.07  -0.01    -0.01   0.06  -0.04     0.01  -0.02   0.04
     7   8    -0.04  -0.07   0.07    -0.08  -0.09   0.02     0.02   0.02  -0.06
     8   1     0.17   0.07   0.02     0.05  -0.01  -0.12    -0.03   0.06   0.09
     9   1    -0.00   0.35   0.09    -0.11  -0.12  -0.04     0.14   0.06   0.05
    10   1     0.38  -0.17  -0.43    -0.11   0.12   0.22    -0.04  -0.04  -0.05
    11   1     0.13   0.04   0.06     0.32   0.22   0.42     0.36   0.35   0.77
    12   1    -0.06  -0.04   0.17    -0.15  -0.40   0.37    -0.02   0.11   0.12
    13   1    -0.08  -0.09   0.13    -0.17  -0.28   0.17     0.13   0.01  -0.08
    14   1    -0.50   0.15   0.04    -0.10   0.04   0.01     0.22  -0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.8570               951.4204              1026.8728
 Red. masses --      1.7074                 1.7138                 1.7152
 Frc consts  --      0.8200                 0.9140                 1.0656
 IR Inten    --     50.3150                64.7873                50.6663
 RamAct Fr= 1--      5.5787                 0.9904                 7.3056
  Dep-P Fr= 1--      0.6233                 0.7447                 0.2235
  Dep-U Fr= 1--      0.7679                 0.8537                 0.3654
 Alpha2 Fr= 1--      0.0129                 0.0001                 0.0931
 Beta2  Fr= 1--      0.7140                 0.1409                 0.4449
 AlphaG Fr= 1--      0.0169                -0.0002                -0.0021
 Gamma2 Fr= 1--      0.4079                 0.4253                 1.3664
 Delta2 Fr= 1--     -0.1033                -0.0475                 0.2988
 Raman1 Fr= 1--      22.315                  3.962                 29.222
 ROA1   Fr= 1--      35.858                 39.309                140.733
 CID1   Fr= 1--       1.607                  9.923                  4.816
 Raman2 Fr= 1--       8.568                  1.691                  5.338
 ROA2   Fr= 1--      10.617                 10.586                 30.403
 CID2   Fr= 1--       1.239                  6.261                  5.695
 Raman3 Fr= 1--      17.136                  3.382                 10.677
 ROA3   Fr= 1--      35.858                 39.309                140.733
 CID3   Fr= 1--       2.093                 11.623                 13.181
 RC180  Fr= 1--       0.536                  0.707                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.08  -0.02    -0.08  -0.05  -0.08     0.00  -0.04   0.14
     2  16    -0.00   0.00  -0.02     0.01  -0.00  -0.00    -0.02   0.02  -0.02
     3   6     0.09  -0.05   0.09     0.16   0.03   0.02    -0.00   0.01  -0.15
     4   7     0.05   0.11  -0.05    -0.04  -0.00   0.08    -0.05  -0.03   0.03
     5   6    -0.02   0.00  -0.01    -0.01   0.03  -0.01     0.06   0.05   0.05
     6   8    -0.01   0.02   0.00    -0.00   0.04  -0.01    -0.01   0.01  -0.02
     7   8     0.00   0.00   0.02    -0.05  -0.06   0.04    -0.04  -0.05   0.02
     8   1     0.22   0.09   0.15     0.29  -0.15  -0.02     0.27   0.14  -0.06
     9   1     0.08   0.08   0.06    -0.18  -0.09  -0.11     0.03   0.30   0.23
    10   1    -0.29  -0.12  -0.22    -0.11  -0.05  -0.07     0.12  -0.06  -0.22
    11   1    -0.05  -0.06  -0.21     0.08   0.05   0.24    -0.06  -0.05   0.04
    12   1    -0.13  -0.29   0.27     0.07   0.09  -0.33     0.11   0.38  -0.16
    13   1    -0.27  -0.01   0.17     0.27   0.57  -0.41     0.19  -0.20   0.03
    14   1     0.59  -0.14  -0.04    -0.06   0.00  -0.00     0.57  -0.17  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1105.7082              1177.1561              1214.3795
 Red. masses --      2.7591                 1.2987                 2.2243
 Frc consts  --      1.9874                 1.0603                 1.9327
 IR Inten    --     15.6935                12.4494                12.9120
 RamAct Fr= 1--      2.4227                 1.9193                 4.9535
  Dep-P Fr= 1--      0.7379                 0.7072                 0.6328
  Dep-U Fr= 1--      0.8492                 0.8285                 0.7751
 Alpha2 Fr= 1--      0.0005                 0.0014                 0.0105
 Beta2  Fr= 1--      0.3429                 0.2650                 0.6399
 AlphaG Fr= 1--     -0.0007                 0.0021                -0.0243
 Gamma2 Fr= 1--     -0.4299                -2.2901                 2.8783
 Delta2 Fr= 1--     -0.0495                -1.4691                 1.3171
 Raman1 Fr= 1--       9.691                  7.677                 19.814
 ROA1   Fr= 1--     -42.854               -266.867                318.464
 CID1   Fr= 1--      -4.422                -34.761                 16.073
 Raman2 Fr= 1--       4.115                  3.180                  7.679
 ROA2   Fr= 1--      -9.922                -43.210                 58.543
 CID2   Fr= 1--      -2.411                -13.587                  7.623
 Raman3 Fr= 1--       8.229                  6.360                 15.359
 ROA3   Fr= 1--     -42.854               -266.867                318.464
 CID3   Fr= 1--      -5.207                -41.957                 20.735
 RC180  Fr= 1--       0.698                  0.657                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.10  -0.04     0.01  -0.01   0.08    -0.03  -0.00  -0.02
     2  16    -0.00   0.01  -0.01    -0.01   0.01  -0.01    -0.00   0.01  -0.01
     3   6     0.02   0.30   0.02    -0.00  -0.07  -0.04    -0.08   0.00   0.08
     4   7     0.05  -0.17   0.04     0.03   0.05   0.01     0.02   0.00  -0.03
     5   6    -0.06  -0.05   0.00    -0.06  -0.02   0.04     0.20   0.08  -0.14
     6   8     0.03  -0.04   0.01     0.01  -0.01   0.00    -0.04   0.06  -0.01
     7   8     0.01   0.04  -0.02     0.01   0.03  -0.03    -0.02  -0.10   0.06
     8   1    -0.12   0.53   0.08    -0.30  -0.42  -0.20    -0.07  -0.14   0.04
     9   1    -0.29   0.06  -0.04    -0.30   0.06   0.05    -0.32  -0.09  -0.09
    10   1     0.46  -0.03  -0.09     0.46   0.04   0.04     0.54   0.08   0.13
    11   1     0.07   0.07  -0.03     0.12   0.09  -0.05    -0.41  -0.30   0.33
    12   1    -0.03  -0.40   0.10    -0.05  -0.28  -0.01    -0.06  -0.11   0.16
    13   1    -0.05  -0.08   0.01    -0.05   0.38  -0.16    -0.10  -0.01   0.04
    14   1     0.21  -0.07  -0.03     0.27  -0.09  -0.03     0.11  -0.04  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1276.1510              1298.6841              1339.4352
 Red. masses --      1.2165                 1.2574                 1.5244
 Frc consts  --      1.1672                 1.2495                 1.6114
 IR Inten    --     10.5564                 5.2452                 4.4470
 RamAct Fr= 1--      1.4478                 5.6004                 3.6691
  Dep-P Fr= 1--      0.7492                 0.3557                 0.3023
  Dep-U Fr= 1--      0.8566                 0.5248                 0.4643
 Alpha2 Fr= 1--      0.0000                 0.0483                 0.0374
 Beta2  Fr= 1--      0.2067                 0.4898                 0.2839
 AlphaG Fr= 1--      0.0003                 0.0568                 0.0175
 Gamma2 Fr= 1--     -0.2527                -2.8701                -0.4342
 Delta2 Fr= 1--      0.7186                -0.5856                -0.5580
 Raman1 Fr= 1--       5.791                 22.401                 14.676
 ROA1   Fr= 1--      -1.263               -294.273                -59.538
 CID1   Fr= 1--      -0.218                -13.136                 -4.057
 Raman2 Fr= 1--       2.480                  5.878                  3.407
 ROA2   Fr= 1--     -11.814                -64.198                 -5.956
 CID2   Fr= 1--      -4.763                -10.922                 -1.748
 Raman3 Fr= 1--       4.961                 11.756                  6.814
 ROA3   Fr= 1--      -1.263               -294.273                -59.538
 CID3   Fr= 1--      -0.255                -25.032                 -8.737
 RC180  Fr= 1--       0.713                  0.050                 -0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.05    -0.04  -0.02   0.02     0.09  -0.01   0.01
     2  16     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.00  -0.00
     3   6    -0.05  -0.02  -0.00    -0.05   0.01  -0.09    -0.16   0.09  -0.02
     4   7     0.01   0.01  -0.02     0.04  -0.00   0.05     0.05  -0.01   0.00
     5   6    -0.03   0.01   0.06     0.04   0.01  -0.01     0.02   0.01   0.03
     6   8     0.01  -0.03   0.00    -0.01   0.02  -0.01     0.01  -0.02  -0.00
     7   8     0.00   0.02  -0.01     0.00  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.66  -0.12   0.08    -0.19   0.18  -0.07     0.60  -0.34  -0.03
     9   1     0.37  -0.05   0.01     0.66   0.16   0.18    -0.32   0.05  -0.04
    10   1     0.57   0.11   0.17    -0.11  -0.04  -0.05    -0.47  -0.09  -0.06
    11   1     0.06   0.05  -0.05    -0.14  -0.09   0.11    -0.02  -0.01   0.04
    12   1     0.00   0.03   0.02    -0.07  -0.41   0.04    -0.04  -0.27   0.08
    13   1    -0.04  -0.01   0.02    -0.03   0.38  -0.15    -0.09   0.19  -0.06
    14   1    -0.10   0.02   0.01    -0.12   0.04   0.02     0.03  -0.01  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1372.5524              1408.4717              1467.8180
 Red. masses --      1.3481                 1.5633                 1.0844
 Frc consts  --      1.4963                 1.8272                 1.3766
 IR Inten    --     29.5188               403.3369                 6.4849
 RamAct Fr= 1--      2.8859                 3.6832                 6.3448
  Dep-P Fr= 1--      0.5380                 0.2182                 0.6350
  Dep-U Fr= 1--      0.6996                 0.3582                 0.7767
 Alpha2 Fr= 1--      0.0118                 0.0476                 0.0132
 Beta2  Fr= 1--      0.3365                 0.2199                 0.8214
 AlphaG Fr= 1--     -0.0501                 0.0069                 0.0062
 Gamma2 Fr= 1--      0.0555                -0.3160                 0.1559
 Delta2 Fr= 1--     -0.5027                -0.2295                -0.2015
 Raman1 Fr= 1--      11.544                 14.733                 25.379
 ROA1   Fr= 1--     -10.754                -37.680                  8.515
 CID1   Fr= 1--      -0.932                 -2.558                  0.336
 Raman2 Fr= 1--       4.038                  2.638                  9.856
 ROA2   Fr= 1--       5.354                 -5.749                  5.353
 CID2   Fr= 1--       1.326                 -2.179                  0.543
 Raman3 Fr= 1--       8.076                  5.277                 19.713
 ROA3   Fr= 1--     -10.754                -37.680                  8.515
 CID3   Fr= 1--      -1.332                 -7.140                  0.432
 RC180  Fr= 1--       0.399                 -0.284                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.04  -0.01     0.00   0.00  -0.01     0.01  -0.05  -0.06
     2  16    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.04  -0.13  -0.04    -0.05  -0.03   0.00     0.01  -0.02  -0.00
     4   7     0.00   0.01   0.04     0.01  -0.01   0.01    -0.00   0.00   0.00
     5   6    -0.03  -0.01   0.03     0.12   0.05  -0.08    -0.00  -0.00   0.00
     6   8    -0.01   0.02  -0.01    -0.00  -0.05   0.02    -0.00   0.00  -0.00
     7   8     0.03   0.00  -0.02    -0.10  -0.01   0.06     0.00   0.00  -0.00
     8   1     0.21   0.76   0.27    -0.03   0.19   0.07    -0.01   0.06   0.01
     9   1    -0.36  -0.15  -0.13    -0.03  -0.01  -0.01    -0.13   0.67   0.12
    10   1     0.07   0.04   0.02     0.02   0.01   0.02    -0.10   0.03   0.71
    11   1    -0.10  -0.06   0.09     0.66   0.43  -0.52    -0.01  -0.01  -0.00
    12   1    -0.02  -0.14  -0.01     0.01  -0.03  -0.00     0.01   0.03  -0.01
    13   1     0.02   0.21  -0.09    -0.03   0.13  -0.05    -0.01  -0.00   0.01
    14   1     0.03  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.3614              1840.5591              2664.7513
 Red. masses --      1.0868                 9.6411                 1.0385
 Frc consts  --      1.7738                19.2432                 4.3446
 IR Inten    --     41.1598               329.8560                 1.6877
 RamAct Fr= 1--      4.3252                12.3139               131.5372
  Dep-P Fr= 1--      0.7013                 0.3312                 0.2049
  Dep-U Fr= 1--      0.8244                 0.4976                 0.3400
 Alpha2 Fr= 1--      0.0037                 0.1148                 1.7634
 Beta2  Fr= 1--      0.5943                 1.0211                 7.4548
 AlphaG Fr= 1--     -0.0116                -0.0505                 0.1049
 Gamma2 Fr= 1--     -0.9580                -0.1332                -0.6173
 Delta2 Fr= 1--     -0.6437                 0.4397                -1.8022
 Raman1 Fr= 1--      17.301                 49.255                526.149
 ROA1   Fr= 1--    -112.569                  1.286               -116.936
 CID1   Fr= 1--      -6.507                  0.026                 -0.222
 Raman2 Fr= 1--       7.132                 12.254                 89.458
 ROA2   Fr= 1--     -17.843                 -6.713                 -0.399
 CID2   Fr= 1--      -2.502                 -0.548                 -0.004
 Raman3 Fr= 1--      14.263                 24.507                178.916
 ROA3   Fr= 1--    -112.569                  1.286               -116.936
 CID3   Fr= 1--      -7.892                  0.052                 -0.654
 RC180  Fr= 1--       0.649                 -0.005                 -0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
     2  16    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.03
     3   6     0.02   0.00  -0.02     0.02  -0.04   0.00    -0.00  -0.00   0.00
     4   7     0.02  -0.07  -0.02     0.00  -0.01   0.00    -0.00   0.00   0.00
     5   6    -0.01  -0.01   0.01    -0.28   0.64  -0.17     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.17  -0.39   0.10    -0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.05  -0.05   0.00    -0.00   0.00   0.00
     8   1    -0.02   0.03  -0.02    -0.13   0.09  -0.02     0.00   0.00   0.00
     9   1     0.01  -0.00   0.00    -0.01  -0.00   0.01     0.00   0.00  -0.02
    10   1    -0.01  -0.01  -0.01    -0.05   0.01  -0.02    -0.00   0.00   0.00
    11   1    -0.03  -0.02   0.00    -0.38  -0.19   0.27     0.00   0.00  -0.00
    12   1     0.09   0.55   0.45    -0.00  -0.01   0.04    -0.00   0.00  -0.00
    13   1    -0.54   0.42  -0.06    -0.01   0.02  -0.01     0.00  -0.00  -0.00
    14   1     0.00   0.01   0.00     0.00   0.00   0.00    -0.05  -0.36   0.93
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3030.1986              3067.6502              3136.4287
 Red. masses --      1.0838                 1.0638                 1.1015
 Frc consts  --      5.8635                 5.8982                 6.3840
 IR Inten    --     15.7019                 6.3813                 0.8434
 RamAct Fr= 1--     97.0406                58.5667                46.8389
  Dep-P Fr= 1--      0.1983                 0.0669                 0.4673
  Dep-U Fr= 1--      0.3310                 0.1254                 0.6370
 Alpha2 Fr= 1--      1.3237                 1.1110                 0.2674
 Beta2  Fr= 1--      5.3531                 1.2244                 4.9724
 AlphaG Fr= 1--     -0.4072                 0.1997                 0.1941
 Gamma2 Fr= 1--      2.3008                -2.9590                -0.0277
 Delta2 Fr= 1--      3.4520                -1.9309                 0.8451
 Raman1 Fr= 1--     388.163                234.267                187.356
 ROA1   Fr= 1--     331.336               -345.850                 24.384
 CID1   Fr= 1--       0.854                 -1.476                  0.130
 Raman2 Fr= 1--      64.238                 14.693                 59.668
 ROA2   Fr= 1--      27.603                -55.567                 -7.425
 CID2   Fr= 1--       0.430                 -3.782                 -0.124
 Raman3 Fr= 1--     128.475                 29.385                119.336
 ROA3   Fr= 1--     331.336               -345.850                 24.384
 CID3   Fr= 1--       2.579                -11.770                  0.204
 RC180  Fr= 1--      -0.338                 -0.749                  0.274
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01     0.01  -0.02  -0.07     0.00  -0.08   0.04
     2  16    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.02  -0.08     0.00   0.00  -0.01    -0.00  -0.00   0.01
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1    -0.15  -0.28   0.93    -0.03  -0.05   0.16     0.01   0.02  -0.06
     9   1     0.03   0.05  -0.17    -0.14  -0.23   0.85     0.06   0.09  -0.38
    10   1    -0.00  -0.02   0.00    -0.05   0.41  -0.06    -0.11   0.90  -0.09
    11   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3449.4668              3481.3798              3558.3569
 Red. masses --      1.0632                 1.0531                 1.0910
 Frc consts  --      7.4534                 7.5201                 8.1390
 IR Inten    --    225.5706                11.9399                22.6738
 RamAct Fr= 1--     86.0039                68.5114                46.0413
  Dep-P Fr= 1--      0.0607                 0.1126                 0.5730
  Dep-U Fr= 1--      0.1144                 0.2025                 0.7285
 Alpha2 Fr= 1--      1.6560                 1.1629                 0.1535
 Beta2  Fr= 1--      1.6404                 2.3118                 5.5905
 AlphaG Fr= 1--      0.5624                 0.1091                -0.0798
 Gamma2 Fr= 1--     -3.1562                12.6078               -10.5570
 Delta2 Fr= 1--     -2.9081                 4.5219                -1.2398
 Raman1 Fr= 1--     344.015                274.045                184.165
 ROA1   Fr= 1--    -396.055               1355.048              -1053.149
 CID1   Fr= 1--      -1.151                  4.945                 -5.719
 Raman2 Fr= 1--      19.685                 27.741                 67.086
 ROA2   Fr= 1--     -52.485                266.411               -243.451
 CID2   Fr= 1--      -2.666                  9.603                 -3.629
 Raman3 Fr= 1--      39.370                 55.483                134.171
 ROA3   Fr= 1--    -396.055               1355.048              -1053.149
 CID3   Fr= 1--     -10.060                 24.423                 -7.849
 RC180  Fr= 1--      -0.771                 -0.595                  0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2  16     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   7     0.01  -0.01  -0.00    -0.04   0.03   0.02    -0.05  -0.02  -0.05
     5   6    -0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   8     0.03  -0.05   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.00  -0.01   0.01     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     9   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.51   0.80  -0.10    -0.16   0.25  -0.03    -0.01   0.02  -0.00
    12   1    -0.25   0.07  -0.05     0.77  -0.21   0.17     0.48  -0.14   0.07
    13   1     0.05   0.07   0.11    -0.18  -0.24  -0.40     0.27   0.42   0.70
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   412.111121539.027661780.76180
           X            0.99988   0.01426  -0.00658
           Y           -0.01410   0.99961   0.02415
           Z            0.00692  -0.02406   0.99969
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21017     0.05628     0.04864
 Rotational constants (GHZ):           4.37926     1.17265     1.01347
 Zero-point vibrational energy     284531.4 (Joules/Mol)
                                   68.00463 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    109.75   159.34   248.64   358.17   390.49
          (Kelvin)            478.65   506.71   589.51   792.09   943.76
                              948.30  1116.02  1152.67  1230.97  1240.99
                             1299.01  1368.88  1477.44  1590.87  1693.67
                             1747.22  1836.10  1868.52  1927.15  1974.80
                             2026.48  2111.86  2394.64  2648.15  3833.98
                             4359.78  4413.66  4512.62  4963.01  5008.93
                             5119.68
 
 Zero-point correction=                           0.108372 (Hartree/Particle)
 Thermal correction to Energy=                    0.116278
 Thermal correction to Enthalpy=                  0.117222
 Thermal correction to Gibbs Free Energy=         0.075529
 Sum of electronic and zero-point Energies=           -722.019078
 Sum of electronic and thermal Energies=              -722.011173
 Sum of electronic and thermal Enthalpies=            -722.010228
 Sum of electronic and thermal Free Energies=         -722.051922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.966             28.060             87.751
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.515
 Vibrational             71.188             22.099             18.950
 Vibration     1          0.599              1.965              3.984
 Vibration     2          0.607              1.941              3.256
 Vibration     3          0.626              1.876              2.405
 Vibration     4          0.662              1.765              1.738
 Vibration     5          0.675              1.726              1.587
 Vibration     6          0.715              1.610              1.247
 Vibration     7          0.729              1.571              1.156
 Vibration     8          0.774              1.449              0.928
 Vibration     9          0.906              1.139              0.543
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.181632D-34        -34.740808        -79.993668
 Total V=0       0.127918D+16         15.106931         34.784995
 Vib (Bot)       0.912377D-48        -48.039826       -110.615786
 Vib (Bot)    1  0.270141D+01          0.431590          0.993772
 Vib (Bot)    2  0.184909D+01          0.266958          0.614694
 Vib (Bot)    3  0.116508D+01          0.066357          0.152792
 Vib (Bot)    4  0.784401D+00         -0.105462         -0.242835
 Vib (Bot)    5  0.711577D+00         -0.147778         -0.340271
 Vib (Bot)    6  0.560718D+00         -0.251256         -0.578538
 Vib (Bot)    7  0.523130D+00         -0.281390         -0.647926
 Vib (Bot)    8  0.431886D+00         -0.364631         -0.839594
 Vib (Bot)    9  0.284912D+00         -0.545290         -1.255576
 Vib (V=0)       0.642561D+02          1.807914          4.162876
 Vib (V=0)    1  0.324729D+01          0.511521          1.177820
 Vib (V=0)    2  0.241550D+01          0.383007          0.881906
 Vib (V=0)    3  0.176784D+01          0.247443          0.569758
 Vib (V=0)    4  0.143021D+01          0.155399          0.357819
 Vib (V=0)    5  0.136968D+01          0.136619          0.314577
 Vib (V=0)    6  0.125127D+01          0.097350          0.224158
 Vib (V=0)    7  0.122365D+01          0.087656          0.201836
 Vib (V=0)    8  0.116070D+01          0.064720          0.149024
 Vib (V=0)    9  0.107548D+01          0.031601          0.072765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.380434D+06          5.580279         12.849067
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3 33            2                             1     1      1 1 1111 11  1  1                                    
     5  44           1 00            6                             8     6      4 4 3322 21  1  0  9988 87  66   5    4 33 22 1  1   
     5  84           3 63            6                             4     6      6 0 7397 17  0  2  5065 07  55   5    1 53 74 7  17  
     8  19           6 80            5                             1     4      8 8 3996 47  6  7  1336 16  96   1    0 23 19 3  16  
 
     X  XX           X XX            X                             X     X      X X XXXX XX  X  X  XXXX XX  XX   X    X XX XX X  XX  
         X                                                         X     X        X             X  XXX                               
         X                                                         X              X             X  X X                               
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000047951   -0.000001086    0.000017996
      2       16          -0.000023852    0.000008089    0.000001505
      3        6          -0.000014692   -0.000042433   -0.000034546
      4        7           0.000003549    0.000022768   -0.000014491
      5        6           0.000001142    0.000019273    0.000012402
      6        8          -0.000002227   -0.000010824    0.000000620
      7        8          -0.000011762    0.000007621    0.000005383
      8        1           0.000004517   -0.000002196    0.000002534
      9        1          -0.000001614    0.000000936    0.000002810
     10        1          -0.000010091   -0.000002080   -0.000003577
     11        1           0.000007943   -0.000009045   -0.000004903
     12        1          -0.000003936    0.000001959    0.000008378
     13        1          -0.000001057    0.000005800    0.000005592
     14        1           0.000004132    0.000001217    0.000000296
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047951 RMS     0.000014302
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.917645D+02 -0.906497D+00 -0.251514D+01
      2  -0.906497D+00  0.757406D+02 -0.233462D+01
      3  -0.251514D+01 -0.233462D+01  0.646253D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.371077D+01  0.141544D+01 -0.980341D+00
      2   0.656066D+00 -0.821267D+01 -0.309902D+02
      3   0.769913D+01  0.170860D+02  0.666871D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.100990D+03 -0.172281D+02 -0.148262D+02
      2   0.578333D+02  0.130806D+02  0.399069D+01
      3   0.431565D+02  0.414744D+01  0.108355D+02
      4  -0.222668D+02 -0.155330D+02 -0.173179D+02
      5  -0.523264D+01 -0.184848D+02 -0.492302D+02
      6  -0.415378D+01  0.121476D+02  0.993637D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108999D+02 -0.238513D+01 -0.155679D+01 -0.508006D+01 -0.233562D+01
      2  -0.238513D+01  0.105570D+00  0.234675D+00 -0.233562D+01  0.435246D+01
      3  -0.155679D+01  0.234675D+00 -0.552305D+00 -0.529064D+00 -0.274296D-01
                 6             7             8             9            10 
      1  -0.529064D+00 -0.451680D+01 -0.280990D+00 -0.169909D+01 -0.178728D+02
      2  -0.274296D-01 -0.280990D+00 -0.126655D+01 -0.117483D+01  0.210909D+01
      3  -0.170780D+01 -0.169909D+01 -0.117483D+01  0.497398D+01 -0.323509D+00
                11            12            13            14            15 
      1   0.210909D+01 -0.323509D+00  0.434536D+01 -0.328194D+01 -0.819764D-01
      2  -0.268736D+01 -0.508484D+00 -0.328194D+01  0.242232D+00 -0.967910D+00
      3  -0.508484D+00 -0.103808D+01 -0.819764D-01 -0.967910D+00  0.297456D+01
                16            17            18            19            20 
      1  -0.968353D+00 -0.295999D+00 -0.227963D+01 -0.212881D+01  0.165507D+01
      2  -0.295999D+00 -0.161151D+01  0.271689D+01  0.165507D+01  0.635273D+00
      3  -0.227963D+01  0.271689D+01 -0.729919D+01  0.140434D+01 -0.215401D+00
                21            22            23            24            25 
      1   0.140434D+01  0.530634D+01  0.542699D+00  0.366267D+00  0.512343D+01
      2  -0.215401D+00  0.542699D+00 -0.174209D+01 -0.534178D+00 -0.825285D-01
      3   0.909826D+00  0.366267D+00 -0.534178D+00  0.244314D+01  0.154491D+01
                26            27            28            29            30 
      1  -0.825285D-01  0.154491D+01  0.512267D+01  0.382472D+00 -0.338784D+00
      2  -0.123229D+00  0.303648D+01  0.382472D+00  0.876438D+00  0.125704D+00
      3   0.303648D+01 -0.515189D+01 -0.338784D+00  0.125704D+00 -0.147345D+01
                31            32            33            34            35 
      1  -0.132779D+01  0.228707D+00 -0.678297D+00 -0.519092D+00 -0.727953D+00
      2   0.228707D+00  0.326888D+01 -0.134107D+01 -0.727953D+00 -0.288592D+01
      3  -0.678297D+00 -0.134107D+01 -0.183896D+01 -0.158209D+01 -0.200543D+01
                36            37            38            39            40 
      1  -0.158209D+01  0.299276D+01 -0.972980D-01 -0.102609D+01  0.878609D+00
      2  -0.200543D+01 -0.972980D-01 -0.112514D+01  0.133078D+01 -0.268383D+01
      3  -0.204798D+01 -0.102609D+01  0.133078D+01  0.350321D+00  0.135112D+01
                41            42            43            44            45 
      1  -0.268383D+01  0.135112D+01 -0.116408D+01  0.163921D+01 -0.349959D+00
      2   0.439192D+01 -0.877034D+00  0.163921D+01 -0.121313D+01 -0.433073D+00
      3  -0.877034D+00  0.100915D+00 -0.349959D+00 -0.433073D+00  0.373784D+00
                46            47            48            49            50 
      1   0.442384D+01 -0.401951D+01  0.143019D+01 -0.534805D+01  0.400513D+01
      2  -0.401951D+01  0.292422D+01 -0.970591D+00  0.400513D+01 -0.107054D+02
      3   0.143019D+01 -0.970591D+00  0.814201D+00 -0.717970D+00  0.182365D+01
                51            52            53            54            55 
      1  -0.717970D+00  0.146241D+01 -0.765267D+00  0.202891D+01  0.612711D+01
      2   0.182365D+01 -0.765267D+00  0.135913D+01 -0.285048D+01  0.103927D+01
      3  -0.225760D+01  0.202891D+01 -0.285048D+01  0.218002D+01 -0.240148D+01
                56            57            58            59            60 
      1   0.103927D+01 -0.240148D+01 -0.155160D+01  0.347436D+01  0.449392D+00
      2   0.243602D+01 -0.469564D+00  0.347436D+01 -0.196770D+00 -0.713261D+00
      3  -0.469564D+00  0.130896D+01  0.449392D+00 -0.713261D+00 -0.299632D-01
                61            62            63            64            65 
      1  -0.225192D+01 -0.788737D+00  0.180539D+01 -0.370893D+00 -0.768775D+00
      2  -0.788737D+00 -0.136318D+00  0.125391D+01 -0.768775D+00 -0.348964D+00
      3   0.180539D+01  0.125391D+01 -0.273015D+01  0.973362D+00  0.663513D-01
                66            67            68            69            70 
      1   0.973362D+00 -0.135386D+01 -0.325688D+00  0.294976D-02  0.915356D+00
      2   0.663513D-01 -0.325688D+00 -0.115441D+01  0.150766D+01  0.673693D-01
      3  -0.821260D+00  0.294976D-02  0.150766D+01 -0.174564D+01 -0.199477D+00
                71            72            73            74            75 
      1   0.673693D-01 -0.199477D+00 -0.359267D+00  0.429632D+00 -0.810666D+00
      2   0.202334D+01 -0.182972D+01  0.429632D+00  0.122423D+00 -0.128077D-01
      3  -0.182972D+01  0.719583D+01 -0.810666D+00 -0.128077D-01  0.842040D+00
                76            77            78            79            80 
      1   0.162881D+01  0.545177D+00 -0.190155D+00 -0.188905D+01 -0.122303D+00
      2   0.545177D+00  0.481715D-01 -0.984001D+00 -0.122303D+00 -0.957452D+00
      3  -0.190155D+00 -0.984001D+00  0.140202D+01  0.121350D+01  0.809949D-01
                81            82            83            84            85 
      1   0.121350D+01  0.405460D+00 -0.778394D+00  0.210836D+00 -0.250548D+01
      2   0.809949D-01 -0.778394D+00  0.414639D+00  0.793104D-01  0.174470D+01
      3  -0.755857D+01  0.210836D+00  0.793104D-01  0.210501D+00  0.253472D+00
                86            87            88            89            90 
      1   0.174470D+01  0.253472D+00  0.136033D+01 -0.892344D-01  0.426711D+00
      2  -0.700557D+01 -0.681811D+00 -0.892344D-01  0.414904D+00 -0.776946D+00
      3  -0.681811D+00 -0.776288D+00  0.426711D+00 -0.776946D+00 -0.416883D+00
                91            92            93            94            95 
      1  -0.223972D+01  0.160676D+01  0.998168D+00  0.370920D+01 -0.452329D+00
      2   0.160676D+01 -0.106447D+01 -0.707341D-01 -0.452329D+00  0.388673D+01
      3   0.998168D+00 -0.707341D-01 -0.299277D+00 -0.110568D+01 -0.820127D+00
                96            97            98            99           100 
      1  -0.110568D+01  0.163434D+00 -0.246000D+00  0.260204D+00 -0.651423D+01
      2  -0.820127D+00 -0.246000D+00 -0.866980D+00  0.783010D+00  0.517296D+00
      3   0.141104D+01  0.260204D+00  0.783010D+00 -0.131609D+01 -0.623545D+00
               101           102           103           104           105 
      1   0.517296D+00 -0.623545D+00  0.151136D+01 -0.153619D+01 -0.120800D+00
      2  -0.303574D+01 -0.251836D+00 -0.153619D+01  0.187414D+01  0.106829D+00
      3  -0.251836D+00 -0.603217D+00 -0.120800D+00  0.106829D+00  0.744029D+00
               106           107           108           109           110 
      1  -0.134753D+01 -0.118378D+00  0.385513D-01  0.953219D+00  0.901386D+00
      2  -0.118378D+00 -0.249799D+00  0.757828D+00  0.901386D+00  0.116907D+01
      3   0.385513D-01  0.757828D+00 -0.118875D+00  0.700996D+00  0.589400D+00
               111           112           113           114           115 
      1   0.700996D+00  0.837558D+00  0.833704D+00  0.506383D+00  0.112502D+01
      2   0.589400D+00  0.833704D+00  0.367450D+01  0.218325D+01  0.105265D+01
      3   0.160230D+01  0.506383D+00  0.218325D+01  0.241309D+01  0.135650D+01
               116           117           118           119           120 
      1   0.105265D+01  0.135650D+01 -0.143922D+01 -0.591869D+00  0.136297D+01
      2   0.345847D+01  0.322734D+01 -0.591869D+00 -0.421975D+00  0.731990D-01
      3   0.322734D+01  0.362420D+01  0.136297D+01  0.731990D-01 -0.125057D+01
               121           122           123           124           125 
      1  -0.105040D+01 -0.758871D+00  0.494355D+00  0.250684D+01  0.758168D+00
      2  -0.758871D+00 -0.934811D+00  0.132544D+01  0.758168D+00  0.205504D+01
      3   0.494355D+00  0.132544D+01 -0.313254D+01 -0.256442D+01 -0.278597D+01
               126 
      1  -0.256442D+01
      2  -0.278597D+01
      3   0.829182D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.170038D+00  0.111862D+00  0.355858D+00  0.835478D+00 -0.417013D+01
      2   0.461086D+01 -0.179828D+01  0.547526D+00  0.154757D+00 -0.910883D+00
      3  -0.633408D+01  0.480760D+01  0.250118D+01  0.119785D+02  0.635069D+01
                 6             7             8             9            10 
      1  -0.447114D+01 -0.169843D+01  0.173056D+01  0.502281D+01 -0.649144D+00
      2   0.813745D+00 -0.972394D+01  0.121112D+01 -0.315049D+01 -0.434408D+01
      3   0.237274D+00  0.116915D+01 -0.135960D+01  0.182721D+00  0.137723D+02
                11            12            13            14            15 
      1   0.117803D+01 -0.133045D+01  0.309802D+01 -0.918617D-01 -0.841824D+01
      2   0.144281D+01  0.806242D+01 -0.888715D+00  0.153991D+01 -0.756790D+01
      3  -0.129031D+02 -0.161654D+01  0.848731D+01  0.238990D+01 -0.303860D+01
                16            17            18            19            20 
      1  -0.693466D+00  0.728577D+01 -0.165933D+01  0.242667D+00  0.145695D+00
      2  -0.103842D+02 -0.843655D+01  0.213790D+02  0.111820D+02  0.363986D+00
      3   0.130323D+00 -0.555598D+01  0.876288D+01 -0.484715D+01 -0.815891D+01
                21            22            23            24            25 
      1  -0.255715D+00 -0.333818D+01 -0.131659D+01  0.104912D+01 -0.364500D-01
      2   0.504821D+01 -0.992230D-01 -0.381551D+00 -0.882867D+00 -0.466513D+01
      3  -0.150918D+01  0.138473D+00  0.145304D+01  0.236110D+01 -0.181007D+01
                26            27            28            29            30 
      1   0.332169D+01  0.822691D+00 -0.158079D+00  0.555919D+00  0.256160D+01
      2   0.159010D+01 -0.384397D+01 -0.171787D+01 -0.306616D+00  0.261405D+01
      3   0.133955D+01 -0.586809D+00  0.174995D+02 -0.482695D+01  0.109165D+01
                31            32            33            34            35 
      1   0.189331D+01  0.662039D+01 -0.193478D+01  0.330456D+01  0.825027D+01
      2  -0.308986D+00 -0.614410D+00  0.258225D+00 -0.397224D+01  0.484019D-01
      3   0.137651D+01 -0.158211D+01 -0.106710D+01  0.113183D+01 -0.417417D-01
                36            37            38            39            40 
      1   0.523343D+01  0.116077D+01  0.134412D+01 -0.277192D+01  0.201192D+01
      2  -0.530308D+00 -0.125936D+02  0.113657D+00 -0.372207D+01 -0.386884D+01
      3  -0.359651D+01  0.864984D+01  0.260674D+01 -0.784476D-01  0.736454D+01
                41            42            43            44            45 
      1   0.614310D+01  0.436307D+01  0.650228D-01  0.557187D+01 -0.634647D+01
      2  -0.573775D+00  0.446282D+01 -0.154561D+02  0.197804D+01  0.645275D+01
      3  -0.131047D+02 -0.158747D+01  0.191144D+01 -0.260506D+01 -0.845867D+00
                46            47            48            49            50 
      1  -0.185859D+00  0.109395D+01  0.384109D+01  0.453884D+00 -0.269593D+01
      2   0.266906D+01 -0.679070D+00  0.638570D+01  0.450329D+01  0.257097D+01
      3   0.659776D+00 -0.812315D+01  0.113716D+01  0.351048D+01  0.212164D+02
                51            52            53            54            55 
      1  -0.889739D+01 -0.471558D-01  0.201336D+01  0.240023D+01  0.242731D+01
      2  -0.688003D+01  0.311319D+01 -0.576999D+01  0.291467D+01  0.211663D+01
      3  -0.237967D+01  0.185371D+00 -0.175374D+01  0.555213D+01  0.543215D+01
                56            57            58            59            60 
      1  -0.472857D+01 -0.221246D+01 -0.480487D+01  0.204443D+01 -0.188268D+01
      2  -0.270582D+01  0.714407D+01 -0.931559D+00  0.422676D+00  0.743680D-01
      3  -0.143982D+02 -0.342667D+00 -0.113704D+02  0.455926D+01  0.352750D+01
                61            62            63            64            65 
      1  -0.119679D+01  0.319091D+01  0.183635D+01 -0.350530D+00 -0.634722D+00
      2   0.489680D+01  0.176359D+01 -0.802775D+01  0.739919D+00  0.298335D+00
      3  -0.189475D+01  0.264664D+01 -0.212873D+01 -0.130416D+00  0.159319D+00
                66            67            68            69            70 
      1  -0.279385D-01  0.351542D+00 -0.139218D+01 -0.310554D+00 -0.354305D-01
      2  -0.140231D+00  0.919525D+00  0.919088D+00 -0.544776D+00 -0.302728D+01
      3   0.330430D+00  0.238272D+01  0.222182D+00 -0.723290D+00 -0.843136D+00
                71            72            73            74            75 
      1   0.341948D+01  0.431270D+00 -0.129220D+01 -0.779040D+00  0.559320D+00
      2  -0.708636D+00  0.296856D+01  0.198292D+01  0.401022D+00  0.293696D+00
      3  -0.322750D+00  0.438544D+00  0.299441D+00 -0.168636D+01  0.310558D+00
                76            77            78            79            80 
      1  -0.872764D+00 -0.772740D+00  0.865064D+00  0.913846D+00  0.273933D+01
      2   0.169732D+01  0.135895D+01 -0.144617D+01 -0.536053D+01 -0.434854D+00
      3   0.337626D+00 -0.238276D-01 -0.721578D+00  0.106800D+01 -0.241721D+00
                81            82            83            84            85 
      1  -0.540532D+01  0.118449D+01 -0.743206D+00  0.752757D+00 -0.172185D+01
      2   0.706713D+01  0.263853D+00 -0.142387D+00  0.151159D+01 -0.151936D+01
      3  -0.578335D+00 -0.375055D+01 -0.128323D+01 -0.683895D+00  0.527992D+01
                86            87            88            89            90 
      1   0.424472D+01 -0.207623D+01  0.923308D+00 -0.237319D+00 -0.110619D+00
      2   0.153706D+01  0.333412D+00 -0.649945D+00  0.210584D+00  0.438419D+00
      3  -0.556140D+01 -0.468118D+00 -0.170481D+01  0.662063D+00 -0.855148D+00
                91            92            93            94            95 
      1  -0.379579D+01  0.405868D+01  0.286849D+00  0.475985D+01 -0.366154D+01
      2  -0.289361D+01  0.218623D+01 -0.159038D+01  0.929654D+00 -0.331290D+01
      3  -0.871988D+01  0.852320D+01  0.165249D+01  0.109607D+02 -0.123587D+02
                96            97            98            99           100 
      1  -0.206368D+01  0.118706D+00  0.684257D+00  0.108639D+01  0.194608D+01
      2   0.259320D+01 -0.176374D+01  0.188899D+01 -0.526063D+00  0.131105D+01
      3  -0.526884D+00  0.135205D+01  0.188224D+00 -0.104523D+01 -0.214214D+02
               101           102           103           104           105 
      1  -0.415693D+00  0.216241D+01 -0.391132D-01  0.752424D+00 -0.114972D+01
      2  -0.670919D+00  0.595777D+00 -0.774901D-01  0.564379D+00 -0.122224D+01
      3  -0.124757D+01 -0.176598D+01  0.316858D+01 -0.191641D+01 -0.623802D+00
               106           107           108           109           110 
      1  -0.162085D-01 -0.631727D-01  0.543390D+00 -0.790452D+00 -0.128363D+01
      2  -0.153401D+01 -0.137492D+01 -0.160091D+00 -0.101240D+00  0.417183D+00
      3  -0.387978D+01 -0.334470D+00  0.111379D+01  0.130749D+01  0.599635D+00
               111           112           113           114           115 
      1  -0.375595D+01 -0.769670D+00 -0.316640D+01 -0.537421D+01 -0.230016D+01
      2   0.935678D+00 -0.446576D+00  0.422449D+00  0.822493D+00 -0.152010D+01
      3   0.273814D+00  0.270481D+01 -0.214492D-01  0.577546D-01  0.246139D+01
               116           117           118           119           120 
      1  -0.406235D+01 -0.703846D+01  0.907010D-01  0.966017D-01 -0.165449D+00
      2   0.676730D+00  0.124101D+01 -0.447849D+01 -0.906213D-01  0.462415D+01
      3   0.611590D+00  0.171023D+01 -0.197069D+01 -0.193722D+01 -0.133169D+00
               121           122           123           124           125 
      1  -0.604951D+00 -0.136720D+01 -0.200882D+01  0.252349D+00  0.402360D+01
      2  -0.638013D-01 -0.354197D+01  0.918571D+01  0.418948D+01  0.781013D+01
      3  -0.462108D+00 -0.207563D+01  0.371297D+01  0.722992D+00  0.676699D+01
               126 
      1   0.201625D+01
      2  -0.249829D+02
      3  -0.812366D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.504275D+02  0.635630D+01  0.299320D+01  0.111025D+02  0.158523D+02
      2   0.249392D+02 -0.309046D+01 -0.263346D+01 -0.356600D+01 -0.164611D+02
      3   0.254883D+02 -0.326585D+01 -0.359735D+00 -0.753650D+01  0.608787D+00
      4   0.129684D+01 -0.965904D+01 -0.112472D+01  0.116840D+02 -0.413371D+01
      5  -0.160551D+00 -0.189849D+01 -0.575534D+01  0.164009D+01 -0.507964D+00
      6   0.325564D+01  0.631857D+00 -0.752324D-02  0.247316D+00  0.149839D+00
                 6             7             8             9            10 
      1  -0.948275D-01  0.113950D+02  0.260104D+00  0.118372D+02  0.104899D+03
      2  -0.255767D+01 -0.690341D+01 -0.109567D+01  0.214313D+01 -0.515880D+02
      3   0.265250D+01 -0.449157D+01  0.835563D+00 -0.139803D+02 -0.533112D+02
      4  -0.265786D+00  0.517175D+01  0.326113D+01  0.261221D+01 -0.345849D+00
      5   0.132047D+01  0.483105D+01  0.464796D+00 -0.317432D+01  0.561838D+01
      6   0.355380D+01  0.106981D+01  0.160078D+01 -0.154199D+01  0.792002D+00
                11            12            13            14            15 
      1  -0.994099D+01  0.205144D+01 -0.200215D+02  0.161563D+01 -0.328081D+01
      2   0.728133D+01 -0.217472D+01  0.163872D+02  0.170289D+02  0.186592D+01
      3   0.265966D+01  0.123287D+00  0.363434D+01 -0.186446D+02  0.141489D+01
      4   0.289414D+02  0.456466D+01  0.320325D+02  0.526604D+01  0.671951D+01
      5   0.406443D+01  0.156470D+02  0.923262D+00  0.701192D+01 -0.140469D+02
      6   0.787052D+00  0.503323D+00  0.245978D+01  0.348492D+01  0.102717D+02
                16            17            18            19            20 
      1  -0.123522D+00 -0.189312D+01  0.324579D+01 -0.767165D+00  0.165528D+01
      2  -0.434459D+01 -0.211689D+01 -0.104418D+02  0.266152D+01  0.135568D+01
      3   0.446811D+01  0.401001D+01  0.719603D+01 -0.189436D+01 -0.301096D+01
      4   0.329040D+01  0.896297D+01 -0.135181D+02  0.484178D+00  0.642472D+01
      5   0.244042D+02 -0.137574D+02  0.399920D+02  0.605028D+01 -0.329835D+00
      6  -0.260290D-01  0.133753D+02  0.107962D+02  0.933477D+00 -0.199592D+01
                21            22            23            24            25 
      1   0.174204D+01 -0.384622D+01  0.464771D+01 -0.577645D+01 -0.885348D+01
      2  -0.271123D+01  0.253328D+01 -0.408375D+01 -0.295650D+01  0.277980D+01
      3   0.969191D+00  0.131294D+01 -0.563957D+00  0.873295D+01  0.607368D+01
      4  -0.145981D+01 -0.709307D+01 -0.667748D+01  0.292697D+00 -0.561547D+01
      5   0.440660D+01  0.760235D-02  0.528912D+00 -0.122970D+01  0.375656D+00
      6  -0.170784D-01  0.175815D+01  0.835703D+00 -0.810059D+01 -0.119269D+01
                26            27            28            29            30 
      1  -0.575321D+01  0.373652D+01  0.414975D+01 -0.224197D+01 -0.219082D+01
      2  -0.292666D+01  0.111903D+02 -0.421544D+01  0.388900D+01  0.243304D+01
      3   0.867987D+01 -0.149268D+02  0.656964D-01 -0.164703D+01 -0.242223D+00
      4  -0.413231D+01  0.149440D+00  0.817761D+01 -0.268034D+01 -0.166449D+01
      5   0.123193D+01 -0.156465D+01 -0.139561D+01 -0.175621D+01  0.450071D+01
      6   0.142190D+01  0.414104D+01 -0.927950D+00 -0.438578D+00 -0.598466D+01
                31            32            33            34            35 
      1   0.158773D+01 -0.140032D+02  0.698451D+01  0.237431D+01  0.843767D+01
      2   0.795403D+00  0.237169D+02 -0.546050D+01  0.101509D+00 -0.758592D+01
      3  -0.238314D+01 -0.971369D+01 -0.152401D+01 -0.247582D+01 -0.851756D+00
      4   0.202922D+01  0.463913D+01 -0.306185D+01 -0.662248D+00 -0.236067D+01
      5  -0.174087D+01 -0.189412D+01 -0.826627D+00  0.208797D+01 -0.124912D+01
      6  -0.500420D+01 -0.965794D+01  0.233207D+00 -0.685688D+01 -0.706669D+01
                36            37            38            39            40 
      1   0.412991D+01 -0.463380D+01 -0.776969D+01 -0.190558D+01  0.743153D+01
      2  -0.759650D+01 -0.101304D+01  0.100125D+02 -0.338013D+01 -0.119221D+01
      3   0.346660D+01  0.564685D+01 -0.224282D+01  0.528571D+01 -0.623932D+01
      4  -0.409984D+01  0.486820D+01 -0.171825D+02  0.568509D+01 -0.240409D+02
      5  -0.327742D+01 -0.372264D+01  0.710321D+01 -0.892911D+01  0.137915D+02
      6  -0.122165D+02  0.807226D+00  0.245099D+00  0.322592D+01 -0.850184D+00
                41            42            43            44            45 
      1  -0.416673D+00  0.171177D+01  0.133809D+01  0.598270D+01 -0.329444D+01
      2  -0.124592D+02 -0.561622D+01 -0.249768D+01  0.990457D+00 -0.201728D+01
      3   0.128758D+02  0.390445D+01  0.115959D+01 -0.697316D+01  0.531172D+01
      4   0.269396D+02 -0.399715D+01  0.131839D+02  0.220331D+01  0.258646D+01
      5  -0.503511D+01  0.815662D+01 -0.246024D+01  0.176163D+01  0.540282D+01
      6   0.461543D+01 -0.747158D+01  0.140330D+01  0.273404D+01  0.484201D+01
                46            47            48            49            50 
      1   0.250979D+02 -0.104238D+02  0.414433D+01 -0.119694D+02 -0.106057D+02
      2  -0.836889D+01 -0.159922D+01 -0.261951D+01 -0.173296D+01  0.327120D+02
      3  -0.167290D+02  0.120230D+02 -0.152482D+01  0.137023D+02 -0.221063D+02
      4  -0.267028D+02  0.275193D+02 -0.592504D+01  0.324064D+02 -0.534537D+02
      5   0.103658D+02 -0.664764D+01  0.130493D+02 -0.750891D+01  0.106335D+02
      6  -0.276548D+01  0.193022D+01 -0.535744D+01  0.433499D+01 -0.589629D+01
                51            52            53            54            55 
      1   0.172606D+01  0.354389D+01  0.117594D+01 -0.106774D+01  0.400803D+02
      2  -0.841114D+00 -0.188604D+01 -0.131461D+01 -0.852147D+00 -0.238849D+02
      3  -0.884949D+00 -0.165785D+01  0.138671D+00  0.191989D+01 -0.161954D+02
      4   0.849171D+01 -0.611521D+01  0.575010D+01 -0.143193D+02  0.164205D+02
      5  -0.148922D+02  0.151565D+02 -0.143245D+02  0.109736D+02 -0.137203D+02
      6   0.132307D+02 -0.681679D+01  0.120740D+02 -0.601329D+01 -0.271000D+01
                56            57            58            59            60 
      1   0.472306D+01 -0.713914D+01 -0.603758D+01  0.104025D+02  0.282376D+01
      2  -0.229781D+00  0.871390D+01  0.703594D+01 -0.258651D+01 -0.777759D+00
      3  -0.449328D+01 -0.157477D+01 -0.998355D+00 -0.781596D+01 -0.204600D+01
      4   0.190514D+02 -0.496199D+01  0.187065D+02  0.680271D+01 -0.264006D+01
      5  -0.401467D+01  0.160455D+02 -0.112453D+01 -0.430710D+01  0.116624D+01
      6  -0.181279D+01  0.389432D+01 -0.821608D+00 -0.193969D+01  0.665773D+01
                61            62            63            64            65 
      1  -0.315427D+01 -0.152538D+01  0.194604D+01 -0.393232D+00 -0.109797D+00
      2   0.430384D+01  0.142482D+01 -0.109788D+02 -0.355252D+01 -0.846115D+00
      3  -0.114957D+01  0.100556D+00  0.903277D+01  0.394575D+01  0.955911D+00
      4  -0.614589D+01 -0.550726D+01  0.672540D+01  0.206990D+00  0.899421D+00
      5   0.159154D+02  0.610678D+01 -0.177850D+02 -0.105817D+01 -0.126735D+01
      6   0.238660D+01  0.543807D+01 -0.372424D+01 -0.157880D+01 -0.502703D+00
                66            67            68            69            70 
      1   0.900403D+00 -0.678795D-01 -0.471903D+01  0.420839D+01  0.195204D+01
      2   0.114696D+01 -0.968500D+00 -0.263448D+00  0.214819D+01  0.317564D+00
      3  -0.204736D+01  0.103638D+01  0.498248D+01 -0.635658D+01 -0.226960D+01
      4  -0.773830D+00  0.283226D+01  0.560507D+00  0.101000D+00 -0.564730D+00
      5   0.475872D+01 -0.146281D+01  0.229249D-01  0.156190D+00  0.425514D+01
      6   0.162552D+00 -0.777024D+00 -0.451518D+01  0.794474D+01  0.692888D+00
                71            72            73            74            75 
      1   0.344253D+01 -0.181046D+02  0.352965D+01 -0.595286D+00  0.234640D+01
      2   0.441254D+01 -0.142331D+02 -0.476647D+01 -0.293141D-01  0.793877D+00
      3  -0.785507D+01  0.323377D+02  0.123683D+01  0.624600D+00 -0.314028D+01
      4   0.979799D+00 -0.485001D+00 -0.110829D+00  0.169850D+01  0.730794D+00
      5  -0.526793D+00  0.179366D+01 -0.109091D+01 -0.595160D-02  0.562431D+01
      6   0.565579D+01 -0.656821D+01 -0.271803D+00 -0.527806D+00 -0.306810D+00
                76            77            78            79            80 
      1  -0.362024D+01 -0.476815D+01  0.267353D+01  0.613946D+01  0.104669D+00
      2   0.125949D+01  0.201112D+01  0.149901D+01 -0.385632D+00  0.126707D+01
      3   0.236075D+01  0.275703D+01 -0.417253D+01 -0.575382D+01 -0.137174D+01
      4  -0.454869D+00 -0.565776D+00  0.131384D+01  0.167917D+01  0.831545D+00
      5   0.209287D+00  0.101668D+01 -0.155131D+01  0.225037D+01 -0.191185D+00
      6  -0.607127D+00 -0.667551D+00  0.415397D+01 -0.101328D+01  0.387883D+01
                81            82            83            84            85 
      1  -0.211711D+02  0.212195D+01  0.237796D+01  0.636560D-01  0.105416D+02
      2  -0.929980D+01  0.169641D+01 -0.296002D+01  0.387377D+00 -0.956821D+01
      3   0.304709D+02 -0.381837D+01  0.582061D+00 -0.451033D+00 -0.973408D+00
      4  -0.169629D+01 -0.133810D+01  0.657643D+01  0.544352D+00  0.190765D+01
      5   0.724611D+01 -0.250660D+00  0.109194D+01  0.237024D+01  0.486556D+00
      6   0.446124D+01 -0.796664D-01 -0.623796D+00 -0.536836D+00 -0.129815D+01
                86            87            88            89            90 
      1  -0.230199D+02 -0.287354D+01 -0.247775D+01  0.421957D+00 -0.475087D+01
      2   0.307553D+02  0.224161D+01  0.222833D+01 -0.984926D+00  0.233396D+01
      3  -0.773534D+01  0.631933D+00  0.249425D+00  0.562969D+00  0.241690D+01
      4   0.478099D+01  0.746193D-01  0.137840D+00 -0.923956D+00 -0.275076D-01
      5  -0.139575D+00  0.212291D+00  0.852544D+00  0.385861D+00  0.171359D+00
      6   0.507958D+01  0.429326D+01 -0.177377D+01  0.485848D+01  0.882001D+00
                91            92            93            94            95 
      1  -0.126646D+02  0.552685D+01  0.180847D+01  0.122212D+02 -0.862626D+01
      2   0.994525D+01 -0.225817D+01 -0.319797D+01 -0.700502D+01  0.934822D+01
      3   0.271939D+01 -0.326868D+01  0.138950D+01 -0.521614D+01 -0.721965D+00
      4   0.144047D+01 -0.276795D+01  0.134461D+01  0.357633D+01  0.133665D+02
      5   0.382640D+01  0.421906D-01 -0.387141D+01 -0.427113D+01 -0.266335D+01
      6   0.203641D+01 -0.804515D-01  0.270372D+00 -0.281646D+01 -0.437898D+01
                96            97            98            99           100 
      1  -0.602942D+00  0.191853D+01  0.244748D+01 -0.308645D+01  0.514607D+01
      2   0.586795D+00 -0.137407D+01 -0.193643D+01  0.120330D+01  0.124641D+01
      3   0.161462D-01 -0.544464D+00 -0.511056D+00  0.188314D+01 -0.639248D+01
      4  -0.473904D+01 -0.163278D+00 -0.206626D+01  0.196542D+01 -0.122068D+02
      5   0.537329D+01  0.140921D+01  0.213462D+01 -0.177563D+01 -0.194394D+01
      6   0.361253D+01  0.235010D+00  0.361099D+01 -0.372435D+01 -0.697950D+00
               101           102           103           104           105 
      1   0.819085D+01  0.208083D+01  0.287054D+01 -0.222914D+01 -0.401593D+00
      2  -0.118461D+02 -0.685696D+00 -0.570613D+01  0.568535D+01 -0.352141D-01
      3   0.365524D+01 -0.139513D+01  0.283559D+01 -0.345622D+01  0.436807D+00
      4   0.702928D+01 -0.124433D+01  0.769536D+01 -0.704665D+01 -0.103193D+00
      5   0.161278D+00 -0.408644D+00  0.696274D+00 -0.516168D+00 -0.177814D+01
      6  -0.208752D+01 -0.346986D+01 -0.123747D+01  0.927670D+00  0.254562D+01
               106           107           108           109           110 
      1  -0.217011D+00  0.382880D+00 -0.160980D+01 -0.156564D+01 -0.264524D+01
      2  -0.110356D-01 -0.767794D+00  0.694767D+00  0.162547D+01  0.269612D+01
      3   0.228047D+00  0.384914D+00  0.915029D+00 -0.598391D-01 -0.508781D-01
      4  -0.199866D+01 -0.315910D+00 -0.146552D+01  0.305685D+01  0.524344D+01
      5   0.167510D+01 -0.151521D+01 -0.537443D+00  0.236487D+01  0.304918D+01
      6   0.145097D+00  0.351090D+01 -0.259854D+00  0.389052D+01  0.470229D+01
               111           112           113           114           115 
      1  -0.207241D+01 -0.243157D+01 -0.128659D+02 -0.828399D+01 -0.360659D+01
      2   0.831486D+00  0.272132D+01  0.143267D+02  0.803440D+01  0.168118D+01
      3   0.124092D+01 -0.289752D+00 -0.146078D+01  0.249591D+00  0.192540D+01
      4   0.418015D+01  0.447581D+01  0.361913D+01  0.262116D+01  0.396123D+01
      5   0.415027D+01  0.136102D+01  0.224134D+01  0.166961D+01  0.391298D+01
      6   0.693370D+01  0.334473D+01  0.149322D+02  0.143827D+02  0.651519D+01
               116           117           118           119           120 
      1  -0.126653D+02 -0.132539D+02  0.777978D+01  0.368782D+01 -0.817634D+01
      2   0.100371D+02  0.639135D+01 -0.590129D+01 -0.177113D+01  0.477284D+01
      3   0.262815D+01  0.686258D+01 -0.187849D+01 -0.191669D+01  0.340350D+01
      4   0.433325D+01  0.498414D+01  0.384621D+01  0.464646D+01 -0.223005D+01
      5   0.311586D+01  0.433986D+01 -0.739815D+01 -0.192671D+01  0.130371D+02
      6   0.185696D+02  0.189319D+02 -0.268363D+01 -0.226952D+00  0.690016D+00
               121           122           123           124           125 
      1   0.284361D+01 -0.175781D+01  0.274255D+01 -0.855192D+01  0.737472D+00
      2  -0.220225D+01  0.125684D+01 -0.124378D+01  0.766699D+01  0.215328D+01
      3  -0.641366D+00  0.500963D+00 -0.149877D+01  0.884925D+00 -0.289075D+01
      4   0.600738D+01  0.499622D+01 -0.732260D+01 -0.615878D+01 -0.110157D+02
      5  -0.300735D+01 -0.639194D+01  0.162703D+02  0.170986D+02  0.154562D+02
      6  -0.124789D+01 -0.530433D+01  0.931742D+01  0.432505D+01  0.607864D+01
               126 
      1  -0.163998D+01
      2  -0.116209D+02
      3   0.132609D+02
      4   0.165885D+02
      5  -0.443202D+02
      6  -0.123406D+02
 Leave Link  716 at Thu Aug 12 21:16:58 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.917645D+02 -0.906497D+00 -0.251514D+01
      2  -0.906497D+00  0.757406D+02 -0.233462D+01
      3  -0.251514D+01 -0.233462D+01  0.646253D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.371077D+01  0.141544D+01 -0.980341D+00
      2   0.656066D+00 -0.821267D+01 -0.309902D+02
      3   0.769913D+01  0.170860D+02  0.666871D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.100990D+03 -0.172281D+02 -0.148262D+02
      2   0.578333D+02  0.130806D+02  0.399069D+01
      3   0.431565D+02  0.414744D+01  0.108355D+02
      4  -0.222668D+02 -0.155330D+02 -0.173179D+02
      5  -0.523264D+01 -0.184848D+02 -0.492302D+02
      6  -0.415378D+01  0.121476D+02  0.993637D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108999D+02 -0.238513D+01 -0.155679D+01 -0.508006D+01 -0.233562D+01
      2  -0.238513D+01  0.105570D+00  0.234675D+00 -0.233562D+01  0.435246D+01
      3  -0.155679D+01  0.234675D+00 -0.552305D+00 -0.529064D+00 -0.274296D-01
                 6             7             8             9            10 
      1  -0.529064D+00 -0.451680D+01 -0.280990D+00 -0.169909D+01 -0.178728D+02
      2  -0.274296D-01 -0.280990D+00 -0.126655D+01 -0.117483D+01  0.210909D+01
      3  -0.170780D+01 -0.169909D+01 -0.117483D+01  0.497398D+01 -0.323509D+00
                11            12            13            14            15 
      1   0.210909D+01 -0.323509D+00  0.434536D+01 -0.328194D+01 -0.819764D-01
      2  -0.268736D+01 -0.508484D+00 -0.328194D+01  0.242232D+00 -0.967910D+00
      3  -0.508484D+00 -0.103808D+01 -0.819764D-01 -0.967910D+00  0.297456D+01
                16            17            18            19            20 
      1  -0.968353D+00 -0.295999D+00 -0.227963D+01 -0.212881D+01  0.165507D+01
      2  -0.295999D+00 -0.161151D+01  0.271689D+01  0.165507D+01  0.635273D+00
      3  -0.227963D+01  0.271689D+01 -0.729919D+01  0.140434D+01 -0.215401D+00
                21            22            23            24            25 
      1   0.140434D+01  0.530634D+01  0.542699D+00  0.366267D+00  0.512343D+01
      2  -0.215401D+00  0.542699D+00 -0.174209D+01 -0.534178D+00 -0.825285D-01
      3   0.909826D+00  0.366267D+00 -0.534178D+00  0.244314D+01  0.154491D+01
                26            27            28            29            30 
      1  -0.825285D-01  0.154491D+01  0.512267D+01  0.382472D+00 -0.338784D+00
      2  -0.123229D+00  0.303648D+01  0.382472D+00  0.876438D+00  0.125704D+00
      3   0.303648D+01 -0.515189D+01 -0.338784D+00  0.125704D+00 -0.147345D+01
                31            32            33            34            35 
      1  -0.132779D+01  0.228707D+00 -0.678297D+00 -0.519092D+00 -0.727953D+00
      2   0.228707D+00  0.326888D+01 -0.134107D+01 -0.727953D+00 -0.288592D+01
      3  -0.678297D+00 -0.134107D+01 -0.183896D+01 -0.158209D+01 -0.200543D+01
                36            37            38            39            40 
      1  -0.158209D+01  0.299276D+01 -0.972980D-01 -0.102609D+01  0.878609D+00
      2  -0.200543D+01 -0.972980D-01 -0.112514D+01  0.133078D+01 -0.268383D+01
      3  -0.204798D+01 -0.102609D+01  0.133078D+01  0.350321D+00  0.135112D+01
                41            42            43            44            45 
      1  -0.268383D+01  0.135112D+01 -0.116408D+01  0.163921D+01 -0.349959D+00
      2   0.439192D+01 -0.877034D+00  0.163921D+01 -0.121313D+01 -0.433073D+00
      3  -0.877034D+00  0.100915D+00 -0.349959D+00 -0.433073D+00  0.373784D+00
                46            47            48            49            50 
      1   0.442384D+01 -0.401951D+01  0.143019D+01 -0.534805D+01  0.400513D+01
      2  -0.401951D+01  0.292422D+01 -0.970591D+00  0.400513D+01 -0.107054D+02
      3   0.143019D+01 -0.970591D+00  0.814201D+00 -0.717970D+00  0.182365D+01
                51            52            53            54            55 
      1  -0.717970D+00  0.146241D+01 -0.765267D+00  0.202891D+01  0.612711D+01
      2   0.182365D+01 -0.765267D+00  0.135913D+01 -0.285048D+01  0.103927D+01
      3  -0.225760D+01  0.202891D+01 -0.285048D+01  0.218002D+01 -0.240148D+01
                56            57            58            59            60 
      1   0.103927D+01 -0.240148D+01 -0.155160D+01  0.347436D+01  0.449392D+00
      2   0.243602D+01 -0.469564D+00  0.347436D+01 -0.196770D+00 -0.713261D+00
      3  -0.469564D+00  0.130896D+01  0.449392D+00 -0.713261D+00 -0.299632D-01
                61            62            63            64            65 
      1  -0.225192D+01 -0.788737D+00  0.180539D+01 -0.370893D+00 -0.768775D+00
      2  -0.788737D+00 -0.136318D+00  0.125391D+01 -0.768775D+00 -0.348964D+00
      3   0.180539D+01  0.125391D+01 -0.273015D+01  0.973362D+00  0.663513D-01
                66            67            68            69            70 
      1   0.973362D+00 -0.135386D+01 -0.325688D+00  0.294976D-02  0.915356D+00
      2   0.663513D-01 -0.325688D+00 -0.115441D+01  0.150766D+01  0.673693D-01
      3  -0.821260D+00  0.294976D-02  0.150766D+01 -0.174564D+01 -0.199477D+00
                71            72            73            74            75 
      1   0.673693D-01 -0.199477D+00 -0.359267D+00  0.429632D+00 -0.810666D+00
      2   0.202334D+01 -0.182972D+01  0.429632D+00  0.122423D+00 -0.128077D-01
      3  -0.182972D+01  0.719583D+01 -0.810666D+00 -0.128077D-01  0.842040D+00
                76            77            78            79            80 
      1   0.162881D+01  0.545177D+00 -0.190155D+00 -0.188905D+01 -0.122303D+00
      2   0.545177D+00  0.481715D-01 -0.984001D+00 -0.122303D+00 -0.957452D+00
      3  -0.190155D+00 -0.984001D+00  0.140202D+01  0.121350D+01  0.809949D-01
                81            82            83            84            85 
      1   0.121350D+01  0.405460D+00 -0.778394D+00  0.210836D+00 -0.250548D+01
      2   0.809949D-01 -0.778394D+00  0.414639D+00  0.793104D-01  0.174470D+01
      3  -0.755857D+01  0.210836D+00  0.793104D-01  0.210501D+00  0.253472D+00
                86            87            88            89            90 
      1   0.174470D+01  0.253472D+00  0.136033D+01 -0.892344D-01  0.426711D+00
      2  -0.700557D+01 -0.681811D+00 -0.892344D-01  0.414904D+00 -0.776946D+00
      3  -0.681811D+00 -0.776288D+00  0.426711D+00 -0.776946D+00 -0.416883D+00
                91            92            93            94            95 
      1  -0.223972D+01  0.160676D+01  0.998168D+00  0.370920D+01 -0.452329D+00
      2   0.160676D+01 -0.106447D+01 -0.707341D-01 -0.452329D+00  0.388673D+01
      3   0.998168D+00 -0.707341D-01 -0.299277D+00 -0.110568D+01 -0.820127D+00
                96            97            98            99           100 
      1  -0.110568D+01  0.163434D+00 -0.246000D+00  0.260204D+00 -0.651423D+01
      2  -0.820127D+00 -0.246000D+00 -0.866980D+00  0.783010D+00  0.517296D+00
      3   0.141104D+01  0.260204D+00  0.783010D+00 -0.131609D+01 -0.623545D+00
               101           102           103           104           105 
      1   0.517296D+00 -0.623545D+00  0.151136D+01 -0.153619D+01 -0.120800D+00
      2  -0.303574D+01 -0.251836D+00 -0.153619D+01  0.187414D+01  0.106829D+00
      3  -0.251836D+00 -0.603217D+00 -0.120800D+00  0.106829D+00  0.744029D+00
               106           107           108           109           110 
      1  -0.134753D+01 -0.118378D+00  0.385513D-01  0.953219D+00  0.901386D+00
      2  -0.118378D+00 -0.249799D+00  0.757828D+00  0.901386D+00  0.116907D+01
      3   0.385513D-01  0.757828D+00 -0.118875D+00  0.700996D+00  0.589400D+00
               111           112           113           114           115 
      1   0.700996D+00  0.837558D+00  0.833704D+00  0.506383D+00  0.112502D+01
      2   0.589400D+00  0.833704D+00  0.367450D+01  0.218325D+01  0.105265D+01
      3   0.160230D+01  0.506383D+00  0.218325D+01  0.241309D+01  0.135650D+01
               116           117           118           119           120 
      1   0.105265D+01  0.135650D+01 -0.143922D+01 -0.591869D+00  0.136297D+01
      2   0.345847D+01  0.322734D+01 -0.591869D+00 -0.421975D+00  0.731990D-01
      3   0.322734D+01  0.362420D+01  0.136297D+01  0.731990D-01 -0.125057D+01
               121           122           123           124           125 
      1  -0.105040D+01 -0.758871D+00  0.494355D+00  0.250684D+01  0.758168D+00
      2  -0.758871D+00 -0.934811D+00  0.132544D+01  0.758168D+00  0.205504D+01
      3   0.494355D+00  0.132544D+01 -0.313254D+01 -0.256442D+01 -0.278597D+01
               126 
      1  -0.256442D+01
      2  -0.278597D+01
      3   0.829182D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.170038D+00  0.111862D+00  0.355858D+00  0.835478D+00 -0.417013D+01
      2   0.461086D+01 -0.179828D+01  0.547526D+00  0.154757D+00 -0.910883D+00
      3  -0.633408D+01  0.480760D+01  0.250118D+01  0.119785D+02  0.635069D+01
                 6             7             8             9            10 
      1  -0.447114D+01 -0.169843D+01  0.173056D+01  0.502281D+01 -0.649144D+00
      2   0.813745D+00 -0.972394D+01  0.121112D+01 -0.315049D+01 -0.434408D+01
      3   0.237274D+00  0.116915D+01 -0.135960D+01  0.182721D+00  0.137723D+02
                11            12            13            14            15 
      1   0.117803D+01 -0.133045D+01  0.309802D+01 -0.918617D-01 -0.841824D+01
      2   0.144281D+01  0.806242D+01 -0.888715D+00  0.153991D+01 -0.756790D+01
      3  -0.129031D+02 -0.161654D+01  0.848731D+01  0.238990D+01 -0.303860D+01
                16            17            18            19            20 
      1  -0.693466D+00  0.728577D+01 -0.165933D+01  0.242667D+00  0.145695D+00
      2  -0.103842D+02 -0.843655D+01  0.213790D+02  0.111820D+02  0.363986D+00
      3   0.130323D+00 -0.555598D+01  0.876288D+01 -0.484715D+01 -0.815891D+01
                21            22            23            24            25 
      1  -0.255715D+00 -0.333818D+01 -0.131659D+01  0.104912D+01 -0.364500D-01
      2   0.504821D+01 -0.992230D-01 -0.381551D+00 -0.882867D+00 -0.466513D+01
      3  -0.150918D+01  0.138473D+00  0.145304D+01  0.236110D+01 -0.181007D+01
                26            27            28            29            30 
      1   0.332169D+01  0.822691D+00 -0.158079D+00  0.555919D+00  0.256160D+01
      2   0.159010D+01 -0.384397D+01 -0.171787D+01 -0.306616D+00  0.261405D+01
      3   0.133955D+01 -0.586809D+00  0.174995D+02 -0.482695D+01  0.109165D+01
                31            32            33            34            35 
      1   0.189331D+01  0.662039D+01 -0.193478D+01  0.330456D+01  0.825027D+01
      2  -0.308986D+00 -0.614410D+00  0.258225D+00 -0.397224D+01  0.484019D-01
      3   0.137651D+01 -0.158211D+01 -0.106710D+01  0.113183D+01 -0.417417D-01
                36            37            38            39            40 
      1   0.523343D+01  0.116077D+01  0.134412D+01 -0.277192D+01  0.201192D+01
      2  -0.530308D+00 -0.125936D+02  0.113657D+00 -0.372207D+01 -0.386884D+01
      3  -0.359651D+01  0.864984D+01  0.260674D+01 -0.784476D-01  0.736454D+01
                41            42            43            44            45 
      1   0.614310D+01  0.436307D+01  0.650228D-01  0.557187D+01 -0.634647D+01
      2  -0.573775D+00  0.446282D+01 -0.154561D+02  0.197804D+01  0.645275D+01
      3  -0.131047D+02 -0.158747D+01  0.191144D+01 -0.260506D+01 -0.845867D+00
                46            47            48            49            50 
      1  -0.185859D+00  0.109395D+01  0.384109D+01  0.453884D+00 -0.269593D+01
      2   0.266906D+01 -0.679070D+00  0.638570D+01  0.450329D+01  0.257097D+01
      3   0.659776D+00 -0.812315D+01  0.113716D+01  0.351048D+01  0.212164D+02
                51            52            53            54            55 
      1  -0.889739D+01 -0.471558D-01  0.201336D+01  0.240023D+01  0.242731D+01
      2  -0.688003D+01  0.311319D+01 -0.576999D+01  0.291467D+01  0.211663D+01
      3  -0.237967D+01  0.185371D+00 -0.175374D+01  0.555213D+01  0.543215D+01
                56            57            58            59            60 
      1  -0.472857D+01 -0.221246D+01 -0.480487D+01  0.204443D+01 -0.188268D+01
      2  -0.270582D+01  0.714407D+01 -0.931559D+00  0.422676D+00  0.743680D-01
      3  -0.143982D+02 -0.342667D+00 -0.113704D+02  0.455926D+01  0.352750D+01
                61            62            63            64            65 
      1  -0.119679D+01  0.319091D+01  0.183635D+01 -0.350530D+00 -0.634722D+00
      2   0.489680D+01  0.176359D+01 -0.802775D+01  0.739919D+00  0.298335D+00
      3  -0.189475D+01  0.264664D+01 -0.212873D+01 -0.130416D+00  0.159319D+00
                66            67            68            69            70 
      1  -0.279385D-01  0.351542D+00 -0.139218D+01 -0.310554D+00 -0.354305D-01
      2  -0.140231D+00  0.919525D+00  0.919088D+00 -0.544776D+00 -0.302728D+01
      3   0.330430D+00  0.238272D+01  0.222182D+00 -0.723290D+00 -0.843136D+00
                71            72            73            74            75 
      1   0.341948D+01  0.431270D+00 -0.129220D+01 -0.779040D+00  0.559320D+00
      2  -0.708636D+00  0.296856D+01  0.198292D+01  0.401022D+00  0.293696D+00
      3  -0.322750D+00  0.438544D+00  0.299441D+00 -0.168636D+01  0.310558D+00
                76            77            78            79            80 
      1  -0.872764D+00 -0.772740D+00  0.865064D+00  0.913846D+00  0.273933D+01
      2   0.169732D+01  0.135895D+01 -0.144617D+01 -0.536053D+01 -0.434854D+00
      3   0.337626D+00 -0.238276D-01 -0.721578D+00  0.106800D+01 -0.241721D+00
                81            82            83            84            85 
      1  -0.540532D+01  0.118449D+01 -0.743206D+00  0.752757D+00 -0.172185D+01
      2   0.706713D+01  0.263853D+00 -0.142387D+00  0.151159D+01 -0.151936D+01
      3  -0.578335D+00 -0.375055D+01 -0.128323D+01 -0.683895D+00  0.527992D+01
                86            87            88            89            90 
      1   0.424472D+01 -0.207623D+01  0.923308D+00 -0.237319D+00 -0.110619D+00
      2   0.153706D+01  0.333412D+00 -0.649945D+00  0.210584D+00  0.438419D+00
      3  -0.556140D+01 -0.468118D+00 -0.170481D+01  0.662063D+00 -0.855148D+00
                91            92            93            94            95 
      1  -0.379579D+01  0.405868D+01  0.286849D+00  0.475985D+01 -0.366154D+01
      2  -0.289361D+01  0.218623D+01 -0.159038D+01  0.929654D+00 -0.331290D+01
      3  -0.871988D+01  0.852320D+01  0.165249D+01  0.109607D+02 -0.123587D+02
                96            97            98            99           100 
      1  -0.206368D+01  0.118706D+00  0.684257D+00  0.108639D+01  0.194608D+01
      2   0.259320D+01 -0.176374D+01  0.188899D+01 -0.526063D+00  0.131105D+01
      3  -0.526884D+00  0.135205D+01  0.188224D+00 -0.104523D+01 -0.214214D+02
               101           102           103           104           105 
      1  -0.415693D+00  0.216241D+01 -0.391132D-01  0.752424D+00 -0.114972D+01
      2  -0.670919D+00  0.595777D+00 -0.774901D-01  0.564379D+00 -0.122224D+01
      3  -0.124757D+01 -0.176598D+01  0.316858D+01 -0.191641D+01 -0.623802D+00
               106           107           108           109           110 
      1  -0.162085D-01 -0.631727D-01  0.543390D+00 -0.790452D+00 -0.128363D+01
      2  -0.153401D+01 -0.137492D+01 -0.160091D+00 -0.101240D+00  0.417183D+00
      3  -0.387978D+01 -0.334470D+00  0.111379D+01  0.130749D+01  0.599635D+00
               111           112           113           114           115 
      1  -0.375595D+01 -0.769670D+00 -0.316640D+01 -0.537421D+01 -0.230016D+01
      2   0.935678D+00 -0.446576D+00  0.422449D+00  0.822493D+00 -0.152010D+01
      3   0.273814D+00  0.270481D+01 -0.214492D-01  0.577546D-01  0.246139D+01
               116           117           118           119           120 
      1  -0.406235D+01 -0.703846D+01  0.907010D-01  0.966017D-01 -0.165449D+00
      2   0.676730D+00  0.124101D+01 -0.447849D+01 -0.906213D-01  0.462415D+01
      3   0.611590D+00  0.171023D+01 -0.197069D+01 -0.193722D+01 -0.133169D+00
               121           122           123           124           125 
      1  -0.604951D+00 -0.136720D+01 -0.200882D+01  0.252349D+00  0.402360D+01
      2  -0.638013D-01 -0.354197D+01  0.918571D+01  0.418948D+01  0.781013D+01
      3  -0.462108D+00 -0.207563D+01  0.371297D+01  0.722992D+00  0.676699D+01
               126 
      1   0.201625D+01
      2  -0.249829D+02
      3  -0.812366D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.504275D+02  0.635630D+01  0.299320D+01  0.111025D+02  0.158523D+02
      2   0.249392D+02 -0.309046D+01 -0.263346D+01 -0.356600D+01 -0.164611D+02
      3   0.254883D+02 -0.326585D+01 -0.359735D+00 -0.753650D+01  0.608787D+00
      4   0.129684D+01 -0.965904D+01 -0.112472D+01  0.116840D+02 -0.413371D+01
      5  -0.160551D+00 -0.189849D+01 -0.575534D+01  0.164009D+01 -0.507964D+00
      6   0.325564D+01  0.631857D+00 -0.752324D-02  0.247316D+00  0.149839D+00
                 6             7             8             9            10 
      1  -0.948275D-01  0.113950D+02  0.260104D+00  0.118372D+02  0.104899D+03
      2  -0.255767D+01 -0.690341D+01 -0.109567D+01  0.214313D+01 -0.515880D+02
      3   0.265250D+01 -0.449157D+01  0.835563D+00 -0.139803D+02 -0.533112D+02
      4  -0.265786D+00  0.517175D+01  0.326113D+01  0.261221D+01 -0.345849D+00
      5   0.132047D+01  0.483105D+01  0.464796D+00 -0.317432D+01  0.561838D+01
      6   0.355380D+01  0.106981D+01  0.160078D+01 -0.154199D+01  0.792002D+00
                11            12            13            14            15 
      1  -0.994099D+01  0.205144D+01 -0.200215D+02  0.161563D+01 -0.328081D+01
      2   0.728133D+01 -0.217472D+01  0.163872D+02  0.170289D+02  0.186592D+01
      3   0.265966D+01  0.123287D+00  0.363434D+01 -0.186446D+02  0.141489D+01
      4   0.289414D+02  0.456466D+01  0.320325D+02  0.526604D+01  0.671951D+01
      5   0.406443D+01  0.156470D+02  0.923262D+00  0.701192D+01 -0.140469D+02
      6   0.787052D+00  0.503323D+00  0.245978D+01  0.348492D+01  0.102717D+02
                16            17            18            19            20 
      1  -0.123522D+00 -0.189312D+01  0.324579D+01 -0.767165D+00  0.165528D+01
      2  -0.434459D+01 -0.211689D+01 -0.104418D+02  0.266152D+01  0.135568D+01
      3   0.446811D+01  0.401001D+01  0.719603D+01 -0.189436D+01 -0.301096D+01
      4   0.329040D+01  0.896297D+01 -0.135181D+02  0.484178D+00  0.642472D+01
      5   0.244042D+02 -0.137574D+02  0.399920D+02  0.605028D+01 -0.329835D+00
      6  -0.260290D-01  0.133753D+02  0.107962D+02  0.933477D+00 -0.199592D+01
                21            22            23            24            25 
      1   0.174204D+01 -0.384622D+01  0.464771D+01 -0.577645D+01 -0.885348D+01
      2  -0.271123D+01  0.253328D+01 -0.408375D+01 -0.295650D+01  0.277980D+01
      3   0.969191D+00  0.131294D+01 -0.563957D+00  0.873295D+01  0.607368D+01
      4  -0.145981D+01 -0.709307D+01 -0.667748D+01  0.292697D+00 -0.561547D+01
      5   0.440660D+01  0.760235D-02  0.528912D+00 -0.122970D+01  0.375656D+00
      6  -0.170784D-01  0.175815D+01  0.835703D+00 -0.810059D+01 -0.119269D+01
                26            27            28            29            30 
      1  -0.575321D+01  0.373652D+01  0.414975D+01 -0.224197D+01 -0.219082D+01
      2  -0.292666D+01  0.111903D+02 -0.421544D+01  0.388900D+01  0.243304D+01
      3   0.867987D+01 -0.149268D+02  0.656964D-01 -0.164703D+01 -0.242223D+00
      4  -0.413231D+01  0.149440D+00  0.817761D+01 -0.268034D+01 -0.166449D+01
      5   0.123193D+01 -0.156465D+01 -0.139561D+01 -0.175621D+01  0.450071D+01
      6   0.142190D+01  0.414104D+01 -0.927950D+00 -0.438578D+00 -0.598466D+01
                31            32            33            34            35 
      1   0.158773D+01 -0.140032D+02  0.698451D+01  0.237431D+01  0.843767D+01
      2   0.795403D+00  0.237169D+02 -0.546050D+01  0.101509D+00 -0.758592D+01
      3  -0.238314D+01 -0.971369D+01 -0.152401D+01 -0.247582D+01 -0.851756D+00
      4   0.202922D+01  0.463913D+01 -0.306185D+01 -0.662248D+00 -0.236067D+01
      5  -0.174087D+01 -0.189412D+01 -0.826627D+00  0.208797D+01 -0.124912D+01
      6  -0.500420D+01 -0.965794D+01  0.233207D+00 -0.685688D+01 -0.706669D+01
                36            37            38            39            40 
      1   0.412991D+01 -0.463380D+01 -0.776969D+01 -0.190558D+01  0.743153D+01
      2  -0.759650D+01 -0.101304D+01  0.100125D+02 -0.338013D+01 -0.119221D+01
      3   0.346660D+01  0.564685D+01 -0.224282D+01  0.528571D+01 -0.623932D+01
      4  -0.409984D+01  0.486820D+01 -0.171825D+02  0.568509D+01 -0.240409D+02
      5  -0.327742D+01 -0.372264D+01  0.710321D+01 -0.892911D+01  0.137915D+02
      6  -0.122165D+02  0.807226D+00  0.245099D+00  0.322592D+01 -0.850184D+00
                41            42            43            44            45 
      1  -0.416673D+00  0.171177D+01  0.133809D+01  0.598270D+01 -0.329444D+01
      2  -0.124592D+02 -0.561622D+01 -0.249768D+01  0.990457D+00 -0.201728D+01
      3   0.128758D+02  0.390445D+01  0.115959D+01 -0.697316D+01  0.531172D+01
      4   0.269396D+02 -0.399715D+01  0.131839D+02  0.220331D+01  0.258646D+01
      5  -0.503511D+01  0.815662D+01 -0.246024D+01  0.176163D+01  0.540282D+01
      6   0.461543D+01 -0.747158D+01  0.140330D+01  0.273404D+01  0.484201D+01
                46            47            48            49            50 
      1   0.250979D+02 -0.104238D+02  0.414433D+01 -0.119694D+02 -0.106057D+02
      2  -0.836889D+01 -0.159922D+01 -0.261951D+01 -0.173296D+01  0.327120D+02
      3  -0.167290D+02  0.120230D+02 -0.152482D+01  0.137023D+02 -0.221063D+02
      4  -0.267028D+02  0.275193D+02 -0.592504D+01  0.324064D+02 -0.534537D+02
      5   0.103658D+02 -0.664764D+01  0.130493D+02 -0.750891D+01  0.106335D+02
      6  -0.276548D+01  0.193022D+01 -0.535744D+01  0.433499D+01 -0.589629D+01
                51            52            53            54            55 
      1   0.172606D+01  0.354389D+01  0.117594D+01 -0.106774D+01  0.400803D+02
      2  -0.841114D+00 -0.188604D+01 -0.131461D+01 -0.852147D+00 -0.238849D+02
      3  -0.884949D+00 -0.165785D+01  0.138671D+00  0.191989D+01 -0.161954D+02
      4   0.849171D+01 -0.611521D+01  0.575010D+01 -0.143193D+02  0.164205D+02
      5  -0.148922D+02  0.151565D+02 -0.143245D+02  0.109736D+02 -0.137203D+02
      6   0.132307D+02 -0.681679D+01  0.120740D+02 -0.601329D+01 -0.271000D+01
                56            57            58            59            60 
      1   0.472306D+01 -0.713914D+01 -0.603758D+01  0.104025D+02  0.282376D+01
      2  -0.229781D+00  0.871390D+01  0.703594D+01 -0.258651D+01 -0.777759D+00
      3  -0.449328D+01 -0.157477D+01 -0.998355D+00 -0.781596D+01 -0.204600D+01
      4   0.190514D+02 -0.496199D+01  0.187065D+02  0.680271D+01 -0.264006D+01
      5  -0.401467D+01  0.160455D+02 -0.112453D+01 -0.430710D+01  0.116624D+01
      6  -0.181279D+01  0.389432D+01 -0.821608D+00 -0.193969D+01  0.665773D+01
                61            62            63            64            65 
      1  -0.315427D+01 -0.152538D+01  0.194604D+01 -0.393232D+00 -0.109797D+00
      2   0.430384D+01  0.142482D+01 -0.109788D+02 -0.355252D+01 -0.846115D+00
      3  -0.114957D+01  0.100556D+00  0.903277D+01  0.394575D+01  0.955911D+00
      4  -0.614589D+01 -0.550726D+01  0.672540D+01  0.206990D+00  0.899421D+00
      5   0.159154D+02  0.610678D+01 -0.177850D+02 -0.105817D+01 -0.126735D+01
      6   0.238660D+01  0.543807D+01 -0.372424D+01 -0.157880D+01 -0.502703D+00
                66            67            68            69            70 
      1   0.900403D+00 -0.678795D-01 -0.471903D+01  0.420839D+01  0.195204D+01
      2   0.114696D+01 -0.968500D+00 -0.263448D+00  0.214819D+01  0.317564D+00
      3  -0.204736D+01  0.103638D+01  0.498248D+01 -0.635658D+01 -0.226960D+01
      4  -0.773830D+00  0.283226D+01  0.560507D+00  0.101000D+00 -0.564730D+00
      5   0.475872D+01 -0.146281D+01  0.229249D-01  0.156190D+00  0.425514D+01
      6   0.162552D+00 -0.777024D+00 -0.451518D+01  0.794474D+01  0.692888D+00
                71            72            73            74            75 
      1   0.344253D+01 -0.181046D+02  0.352965D+01 -0.595286D+00  0.234640D+01
      2   0.441254D+01 -0.142331D+02 -0.476647D+01 -0.293141D-01  0.793877D+00
      3  -0.785507D+01  0.323377D+02  0.123683D+01  0.624600D+00 -0.314028D+01
      4   0.979799D+00 -0.485001D+00 -0.110829D+00  0.169850D+01  0.730794D+00
      5  -0.526793D+00  0.179366D+01 -0.109091D+01 -0.595160D-02  0.562431D+01
      6   0.565579D+01 -0.656821D+01 -0.271803D+00 -0.527806D+00 -0.306810D+00
                76            77            78            79            80 
      1  -0.362024D+01 -0.476815D+01  0.267353D+01  0.613946D+01  0.104669D+00
      2   0.125949D+01  0.201112D+01  0.149901D+01 -0.385632D+00  0.126707D+01
      3   0.236075D+01  0.275703D+01 -0.417253D+01 -0.575382D+01 -0.137174D+01
      4  -0.454869D+00 -0.565776D+00  0.131384D+01  0.167917D+01  0.831545D+00
      5   0.209287D+00  0.101668D+01 -0.155131D+01  0.225037D+01 -0.191185D+00
      6  -0.607127D+00 -0.667551D+00  0.415397D+01 -0.101328D+01  0.387883D+01
                81            82            83            84            85 
      1  -0.211711D+02  0.212195D+01  0.237796D+01  0.636560D-01  0.105416D+02
      2  -0.929980D+01  0.169641D+01 -0.296002D+01  0.387377D+00 -0.956821D+01
      3   0.304709D+02 -0.381837D+01  0.582061D+00 -0.451033D+00 -0.973408D+00
      4  -0.169629D+01 -0.133810D+01  0.657643D+01  0.544352D+00  0.190765D+01
      5   0.724611D+01 -0.250660D+00  0.109194D+01  0.237024D+01  0.486556D+00
      6   0.446124D+01 -0.796664D-01 -0.623796D+00 -0.536836D+00 -0.129815D+01
                86            87            88            89            90 
      1  -0.230199D+02 -0.287354D+01 -0.247775D+01  0.421957D+00 -0.475087D+01
      2   0.307553D+02  0.224161D+01  0.222833D+01 -0.984926D+00  0.233396D+01
      3  -0.773534D+01  0.631933D+00  0.249425D+00  0.562969D+00  0.241690D+01
      4   0.478099D+01  0.746193D-01  0.137840D+00 -0.923956D+00 -0.275076D-01
      5  -0.139575D+00  0.212291D+00  0.852544D+00  0.385861D+00  0.171359D+00
      6   0.507958D+01  0.429326D+01 -0.177377D+01  0.485848D+01  0.882001D+00
                91            92            93            94            95 
      1  -0.126646D+02  0.552685D+01  0.180847D+01  0.122212D+02 -0.862626D+01
      2   0.994525D+01 -0.225817D+01 -0.319797D+01 -0.700502D+01  0.934822D+01
      3   0.271939D+01 -0.326868D+01  0.138950D+01 -0.521614D+01 -0.721965D+00
      4   0.144047D+01 -0.276795D+01  0.134461D+01  0.357633D+01  0.133665D+02
      5   0.382640D+01  0.421906D-01 -0.387141D+01 -0.427113D+01 -0.266335D+01
      6   0.203641D+01 -0.804515D-01  0.270372D+00 -0.281646D+01 -0.437898D+01
                96            97            98            99           100 
      1  -0.602942D+00  0.191853D+01  0.244748D+01 -0.308645D+01  0.514607D+01
      2   0.586795D+00 -0.137407D+01 -0.193643D+01  0.120330D+01  0.124641D+01
      3   0.161462D-01 -0.544464D+00 -0.511056D+00  0.188314D+01 -0.639248D+01
      4  -0.473904D+01 -0.163278D+00 -0.206626D+01  0.196542D+01 -0.122068D+02
      5   0.537329D+01  0.140921D+01  0.213462D+01 -0.177563D+01 -0.194394D+01
      6   0.361253D+01  0.235010D+00  0.361099D+01 -0.372435D+01 -0.697950D+00
               101           102           103           104           105 
      1   0.819085D+01  0.208083D+01  0.287054D+01 -0.222914D+01 -0.401593D+00
      2  -0.118461D+02 -0.685696D+00 -0.570613D+01  0.568535D+01 -0.352141D-01
      3   0.365524D+01 -0.139513D+01  0.283559D+01 -0.345622D+01  0.436807D+00
      4   0.702928D+01 -0.124433D+01  0.769536D+01 -0.704665D+01 -0.103193D+00
      5   0.161278D+00 -0.408644D+00  0.696274D+00 -0.516168D+00 -0.177814D+01
      6  -0.208752D+01 -0.346986D+01 -0.123747D+01  0.927670D+00  0.254562D+01
               106           107           108           109           110 
      1  -0.217011D+00  0.382880D+00 -0.160980D+01 -0.156564D+01 -0.264524D+01
      2  -0.110356D-01 -0.767794D+00  0.694767D+00  0.162547D+01  0.269612D+01
      3   0.228047D+00  0.384914D+00  0.915029D+00 -0.598391D-01 -0.508781D-01
      4  -0.199866D+01 -0.315910D+00 -0.146552D+01  0.305685D+01  0.524344D+01
      5   0.167510D+01 -0.151521D+01 -0.537443D+00  0.236487D+01  0.304918D+01
      6   0.145097D+00  0.351090D+01 -0.259854D+00  0.389052D+01  0.470229D+01
               111           112           113           114           115 
      1  -0.207241D+01 -0.243157D+01 -0.128659D+02 -0.828399D+01 -0.360659D+01
      2   0.831486D+00  0.272132D+01  0.143267D+02  0.803440D+01  0.168118D+01
      3   0.124092D+01 -0.289752D+00 -0.146078D+01  0.249591D+00  0.192540D+01
      4   0.418015D+01  0.447581D+01  0.361913D+01  0.262116D+01  0.396123D+01
      5   0.415027D+01  0.136102D+01  0.224134D+01  0.166961D+01  0.391298D+01
      6   0.693370D+01  0.334473D+01  0.149322D+02  0.143827D+02  0.651519D+01
               116           117           118           119           120 
      1  -0.126653D+02 -0.132539D+02  0.777978D+01  0.368782D+01 -0.817634D+01
      2   0.100371D+02  0.639135D+01 -0.590129D+01 -0.177113D+01  0.477284D+01
      3   0.262815D+01  0.686258D+01 -0.187849D+01 -0.191669D+01  0.340350D+01
      4   0.433325D+01  0.498414D+01  0.384621D+01  0.464646D+01 -0.223005D+01
      5   0.311586D+01  0.433986D+01 -0.739815D+01 -0.192671D+01  0.130371D+02
      6   0.185696D+02  0.189319D+02 -0.268363D+01 -0.226952D+00  0.690016D+00
               121           122           123           124           125 
      1   0.284361D+01 -0.175781D+01  0.274255D+01 -0.855192D+01  0.737472D+00
      2  -0.220225D+01  0.125684D+01 -0.124378D+01  0.766699D+01  0.215328D+01
      3  -0.641366D+00  0.500963D+00 -0.149877D+01  0.884925D+00 -0.289075D+01
      4   0.600738D+01  0.499622D+01 -0.732260D+01 -0.615878D+01 -0.110157D+02
      5  -0.300735D+01 -0.639194D+01  0.162703D+02  0.170986D+02  0.154562D+02
      6  -0.124789D+01 -0.530433D+01  0.931742D+01  0.432505D+01  0.607864D+01
               126 
      1  -0.163998D+01
      2  -0.116209D+02
      3   0.132609D+02
      4   0.165885D+02
      5  -0.443202D+02
      6  -0.123406D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.162772D+01      0.413726D+01      0.138004D+02
   x         -0.115728D+01     -0.294151D+01     -0.981183D+01
   y          0.102436D+01      0.260366D+01      0.868487D+01
   z          0.510759D+00      0.129822D+01      0.433040D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.694050D+02      0.102848D+02      0.114433D+02
   aniso      0.243030D+02      0.360134D+01      0.400703D+01
   xx         0.839122D+02      0.124345D+02      0.138353D+02
   yx        -0.122661D+01     -0.181765D+00     -0.202241D+00
   yy         0.670541D+02      0.993639D+01      0.110557D+02
   zx        -0.245924D+01     -0.364421D+00     -0.405473D+00
   zy        -0.272874D+01     -0.404357D+00     -0.449908D+00
   zz         0.572487D+02      0.848339D+01      0.943904D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.773768D+02      0.114661D+02      0.127577D+02
   aniso      0.244176D+02      0.361832D+01      0.402592D+01
   xx         0.917645D+02      0.135981D+02      0.151299D+02
   yx        -0.906497D+00     -0.134329D+00     -0.149461D+00
   yy         0.757406D+02      0.112236D+02      0.124879D+02
   zx        -0.251514D+01     -0.372705D+00     -0.414690D+00
   zy        -0.233462D+01     -0.345955D+00     -0.384927D+00
   zz         0.646253D+02      0.957647D+01      0.106553D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.82992681         -0.76321035          0.06740847
    16         -3.19830674         -1.68851327          3.09337043
     6          1.01385873         -0.22063970          0.15831466
     7          1.57252553          1.81703023          1.93569086
     6          1.81414202          0.55229128         -2.52782806
     8          2.02784664         -0.94053087         -4.22122406
     8          2.15749463          3.04063192         -2.81271482
     1          2.00495558         -1.98395808          0.58473396
     1         -2.85410976          0.94613451         -0.46535396
     1         -2.20712236         -2.19930519         -1.35140168
     1          1.90825187          3.77108735         -1.12054047
     1          0.38983530          1.72216218          3.44292101
     1          3.36312192          1.69268140          2.60003611
     1         -1.91088265         -3.86324867          3.34998210

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.162772D+01      0.413726D+01      0.138004D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.162772D+01      0.413726D+01      0.138004D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.694050D+02      0.102848D+02      0.114433D+02
   aniso      0.243030D+02      0.360134D+01      0.400703D+01
   xx         0.644917D+02      0.955669D+01      0.106332D+02
   yx         0.683641D+01      0.101305D+01      0.112717D+01
   yy         0.679957D+02      0.100759D+02      0.112110D+02
   zx        -0.104838D+02     -0.155354D+01     -0.172854D+01
   zy        -0.267999D+01     -0.397134D+00     -0.441871D+00
   zz         0.757276D+02      0.112217D+02      0.124858D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.773768D+02      0.114661D+02      0.127577D+02
   aniso      0.244176D+02      0.361832D+01      0.402592D+01
   xx         0.724764D+02      0.107399D+02      0.119497D+02
   yx         0.754183D+01      0.111758D+01      0.124348D+01
   yy         0.758964D+02      0.112467D+02      0.125136D+02
   zx        -0.101288D+02     -0.150093D+01     -0.167001D+01
   zy        -0.241035D+01     -0.357177D+00     -0.397413D+00
   zz         0.837575D+02      0.124116D+02      0.138097D+02

 ----------------------------------------------------------------------
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 O WAD SOME POWER THE GIFTIE GIE US       
 TO SEE OURSELS AS OTHERS SEE US.....     
 IT WOULD FRAE MONIE A BLUNDER FREE US,   
                     AND FOOLISH NOTION...
 WHAT AIRS IN DRESS AND GAIT WAD LEA'E US,
                     AND EV'N DEVOTION....
                                          
              (ROBERT BURNS 'TO A LOUSE') 
 Job cpu time:       0 days  2 hours 47 minutes  8.9 seconds.
 Elapsed time:       0 days  0 hours 20 minutes 56.6 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:16:59 2021.
